:-) GROMACS - gmx mdrun, 2020.1-Ubuntu-2020.1-1 (-: GROMACS is written by: Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen Christian Wennberg Maarten Wolf Artem Zhmurov and the project leaders: Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel Copyright (c) 1991-2000, University of Groningen, The Netherlands. Copyright (c) 2001-2019, The GROMACS development team at Uppsala University, Stockholm University and the Royal Institute of Technology, Sweden. check out http://www.gromacs.org for more information. GROMACS is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2.1 of the License, or (at your option) any later version. GROMACS: gmx mdrun, version 2020.1-Ubuntu-2020.1-1 Executable: /usr/bin/gmx Data prefix: /usr Working dir: /home/vboxuser/Downloads/m12 Process ID: 30659 Command line: gmx mdrun -v -deffnm em GROMACS version: 2020.1-Ubuntu-2020.1-1 Precision: single Memory model: 64 bit MPI library: thread_mpi OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 64) GPU support: disabled SIMD instructions: SSE2 FFT library: fftw-3.3.8-sse2-avx RDTSCP usage: disabled TNG support: enabled Hwloc support: hwloc-2.1.0 Tracing support: disabled C compiler: /usr/bin/cc GNU 9.3.0 C compiler flags: -msse2 -fexcess-precision=fast -funroll-all-loops C++ compiler: /usr/bin/c++ GNU 9.3.0 C++ compiler flags: -msse2 -fexcess-precision=fast -funroll-all-loops -fopenmp Running on 1 node with total 7 cores, 7 logical cores Hardware detected: CPU info: Vendor: Intel Brand: Intel(R) Core(TM) i7-10700F CPU @ 2.90GHz Family: 6 Model: 165 Stepping: 5 Features: aes apic avx avx2 clfsh cmov cx8 cx16 intel lahf mmx msr nonstop_tsc pcid pclmuldq popcnt pse rdrnd rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 x2apic Hardware topology: Full, with devices Sockets, cores, and logical processors: Socket 0: [ 0] [ 1] [ 2] [ 3] [ 4] [ 5] [ 6] Numa nodes: Node 0 (24206168064 bytes mem): 0 1 2 3 4 5 6 Latency: 0 0 1.00 Caches: L1: 32768 bytes, linesize 64 bytes, assoc. 8, shared 1 ways L2: 262144 bytes, linesize 64 bytes, assoc. 4, shared 1 ways L3: 16777216 bytes, linesize 64 bytes, assoc. 16, shared 1 ways PCI devices: 0000:00:01.1 Id: 8086:7111 Class: 0x0101 Numa: 0 0000:00:02.0 Id: 15ad:0405 Class: 0x0300 Numa: 0 0000:00:03.0 Id: 8086:100e Class: 0x0200 Numa: 0 0000:00:0d.0 Id: 8086:2829 Class: 0x0106 Numa: 0 Highest SIMD level requested by all nodes in run: AVX2_256 SIMD instructions selected at compile time: SSE2 This program was compiled for different hardware than you are running on, which could influence performance. The current CPU can measure timings more accurately than the code in gmx mdrun was configured to use. This might affect your simulation speed as accurate timings are needed for load-balancing. Please consider rebuilding gmx mdrun with the GMX_USE_RDTSCP=ON CMake option. ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ M. J. Abraham, T. Murtola, R. Schulz, S. Páll, J. C. Smith, B. Hess, E. Lindahl GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers SoftwareX 1 (2015) pp. 19-25 -------- -------- --- Thank You --- -------- -------- ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ S. Páll, M. J. Abraham, C. Kutzner, B. Hess, E. Lindahl Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS In S. Markidis & E. Laure (Eds.), Solving Software Challenges for Exascale 8759 (2015) pp. 3-27 -------- -------- --- Thank You --- -------- -------- ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ S. Pronk, S. Páll, R. Schulz, P. Larsson, P. Bjelkmar, R. Apostolov, M. R. Shirts, J. C. Smith, P. M. Kasson, D. van der Spoel, B. Hess, and E. Lindahl GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit Bioinformatics 29 (2013) pp. 845-54 -------- -------- --- Thank You --- -------- -------- ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ B. Hess and C. Kutzner and D. van der Spoel and E. Lindahl GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation J. Chem. Theory Comput. 4 (2008) pp. 435-447 -------- -------- --- Thank You --- -------- -------- ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark and H. J. C. Berendsen GROMACS: Fast, Flexible and Free J. Comp. Chem. 26 (2005) pp. 1701-1719 -------- -------- --- Thank You --- -------- -------- ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ E. Lindahl and B. Hess and D. van der Spoel GROMACS 3.0: A package for molecular simulation and trajectory analysis J. Mol. Mod. 7 (2001) pp. 306-317 -------- -------- --- Thank You --- -------- -------- ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ H. J. C. Berendsen, D. van der Spoel and R. van Drunen GROMACS: A message-passing parallel molecular dynamics implementation Comp. Phys. Comm. 91 (1995) pp. 43-56 -------- -------- --- Thank You --- -------- -------- Input Parameters: integrator = steep tinit = 0 dt = 0.001 nsteps = 50000 init-step = 0 simulation-part = 1 comm-mode = Linear nstcomm = 100 bd-fric = 0 ld-seed = 2093194379 emtol = 100 emstep = 0.01 niter = 20 fcstep = 0 nstcgsteep = 1000 nbfgscorr = 10 rtpi = 0.05 nstxout = 0 nstvout = 0 nstfout = 0 nstlog = 1000 nstcalcenergy = 100 nstenergy = 1000 nstxout-compressed = 0 compressed-x-precision = 1000 cutoff-scheme = Verlet nstlist = 1 pbc = xyz periodic-molecules = false verlet-buffer-tolerance = 0.005 rlist = 1 coulombtype = PME coulomb-modifier = Potential-shift rcoulomb-switch = 0 rcoulomb = 1 epsilon-r = 1 epsilon-rf = inf vdw-type = Cut-off vdw-modifier = Potential-shift rvdw-switch = 0 rvdw = 1 DispCorr = No table-extension = 1 fourierspacing = 0.12 fourier-nx = 108 fourier-ny = 108 fourier-nz = 108 pme-order = 4 ewald-rtol = 1e-05 ewald-rtol-lj = 0.001 lj-pme-comb-rule = Geometric ewald-geometry = 0 epsilon-surface = 0 tcoupl = No nsttcouple = -1 nh-chain-length = 0 print-nose-hoover-chain-variables = false pcoupl = No pcoupltype = Isotropic nstpcouple = -1 tau-p = 1 compressibility (3x3): compressibility[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} compressibility[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} compressibility[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} ref-p (3x3): ref-p[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} ref-p[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} ref-p[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} refcoord-scaling = No posres-com (3): posres-com[0]= 0.00000e+00 posres-com[1]= 0.00000e+00 posres-com[2]= 0.00000e+00 posres-comB (3): posres-comB[0]= 0.00000e+00 posres-comB[1]= 0.00000e+00 posres-comB[2]= 0.00000e+00 QMMM = false QMconstraints = 0 QMMMscheme = 0 MMChargeScaleFactor = 1 qm-opts: ngQM = 0 constraint-algorithm = Lincs continuation = false Shake-SOR = false shake-tol = 0.0001 lincs-order = 4 lincs-iter = 1 lincs-warnangle = 30 nwall = 0 wall-type = 9-3 wall-r-linpot = -1 wall-atomtype[0] = -1 wall-atomtype[1] = -1 wall-density[0] = 0 wall-density[1] = 0 wall-ewald-zfac = 3 pull = false awh = false rotation = false interactiveMD = false disre = No disre-weighting = Conservative disre-mixed = false dr-fc = 1000 dr-tau = 0 nstdisreout = 100 orire-fc = 0 orire-tau = 0 nstorireout = 100 free-energy = no cos-acceleration = 0 deform (3x3): deform[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} deform[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} deform[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} simulated-tempering = false swapcoords = no userint1 = 0 userint2 = 0 userint3 = 0 userint4 = 0 userreal1 = 0 userreal2 = 0 userreal3 = 0 userreal4 = 0 applied-forces: electric-field: x: E0 = 0 omega = 0 t0 = 0 sigma = 0 y: E0 = 0 omega = 0 t0 = 0 sigma = 0 z: E0 = 0 omega = 0 t0 = 0 sigma = 0 density-guided-simulation: active = false group = protein similarity-measure = inner-product atom-spreading-weight = unity force-constant = 1e+09 gaussian-transform-spreading-width = 0.2 gaussian-transform-spreading-range-in-multiples-of-width = 4 reference-density-filename = reference.mrc nst = 1 normalize-densities = true adaptive-force-scaling = false adaptive-force-scaling-time-constant = 4 grpopts: nrdf: 421590 ref-t: 0 tau-t: 0 annealing: No annealing-npoints: 0 acc: 0 0 0 nfreeze: N N N energygrp-flags[ 0]: 0 Using 1 MPI thread Non-default thread affinity set, disabling internal thread affinity Using 7 OpenMP threads System total charge: 0.000 Will do PME sum in reciprocal space for electrostatic interactions. ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee and L. G. Pedersen A smooth particle mesh Ewald method J. Chem. Phys. 103 (1995) pp. 8577-8592 -------- -------- --- Thank You --- -------- -------- Using a Gaussian width (1/beta) of 0.320163 nm for Ewald Potential shift: LJ r^-12: -1.000e+00 r^-6: -1.000e+00, Ewald -1.000e-05 Initialized non-bonded Coulomb Ewald tables, spacing: 9.33e-04 size: 1073 Generated table with 1000 data points for 1-4 COUL. Tabscale = 500 points/nm Generated table with 1000 data points for 1-4 LJ6. Tabscale = 500 points/nm Generated table with 1000 data points for 1-4 LJ12. Tabscale = 500 points/nm Using SIMD 4x4 nonbonded short-range kernels Using a 4x4 pair-list setup: updated every 1 steps, buffer 0.000 nm, rlist 1.000 nm Using full Lennard-Jones parameter combination matrix Removing pbc first time ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ S. Miyamoto and P. A. Kollman SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid Water Models J. Comp. Chem. 13 (1992) pp. 952-962 -------- -------- --- Thank You --- -------- -------- Note that activating steepest-descent energy minimization via the integrator .mdp option and the command gmx mdrun may be available in a different form in a future version of GROMACS, e.g. gmx minimize and an .mdp option. Initiating Steepest Descents Started Steepest Descents on rank 0 Sun Nov 19 22:37:24 2023 Steepest Descents: Tolerance (Fmax) = 1.00000e+02 Number of steps = 50000 Step Time 0 0.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.86825e+04 1.02945e+04 1.93698e+04 1.01992e+02 -6.75836e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 7.72455e+03 1.19160e+05 9.06634e+05 -3.42622e+06 3.92112e+04 Potential Pressure (bar) -2.27571e+06 1.65221e+04 Step Time 1 1.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.79057e+04 1.02971e+04 1.93720e+04 1.06085e+02 -6.76556e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 7.73485e+03 1.19148e+05 8.65757e+05 -3.42663e+06 3.91848e+04 Potential Pressure (bar) -2.31780e+06 1.50831e+04 Step Time 2 2.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.52486e+04 1.03624e+04 1.94009e+04 1.42728e+02 -6.76736e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 7.76526e+03 1.19102e+05 7.96736e+05 -3.42800e+06 3.90834e+04 Potential Pressure (bar) -2.39084e+06 1.26009e+04 Step Time 3 3.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.79148e+04 1.06797e+04 1.94893e+04 2.58044e+02 -6.78080e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 7.82909e+03 1.18973e+05 7.16251e+05 -3.43133e+06 3.87763e+04 Potential Pressure (bar) -2.48184e+06 9.65465e+03 Step Time 4 4.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98313e+04 1.19666e+04 1.96645e+04 4.58799e+02 -6.97833e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 7.92889e+03 1.18655e+05 6.41248e+05 -3.43966e+06 3.78096e+04 Potential Pressure (bar) -2.58280e+06 6.59370e+03 Step Time 5 5.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.16581e+03 1.24804e+04 1.97444e+04 4.76479e+02 -7.45366e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 7.62930e+03 1.18195e+05 5.88028e+05 -3.45926e+06 3.54104e+04 Potential Pressure (bar) -2.67288e+06 3.41471e+03 Step Time 6 6.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.60180e+03 9.66458e+03 1.96808e+04 4.53975e+02 -7.19503e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 7.27257e+03 1.18166e+05 5.74050e+05 -3.46975e+06 3.42074e+04 Potential Pressure (bar) -2.70138e+06 2.65529e+03 Step Time 7 7.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.36462e+03 9.50299e+03 1.96612e+04 4.12472e+02 -7.38247e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 7.14326e+03 1.18193e+05 5.65607e+05 -3.47837e+06 3.32922e+04 Potential Pressure (bar) -2.72193e+06 2.06655e+03 Step Time 8 8.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.18176e+03 8.88963e+03 1.96653e+04 3.99735e+02 -7.24117e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.98529e+03 1.18054e+05 5.55903e+05 -3.48776e+06 3.22432e+04 Potential Pressure (bar) -2.74116e+06 1.49574e+03 Step Time 9 9.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.03431e+03 9.20033e+03 1.96443e+04 3.95835e+02 -7.45835e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.90108e+03 1.18094e+05 5.49934e+05 -3.49529e+06 3.15319e+04 Potential Pressure (bar) -2.75630e+06 1.08027e+03 Step Time 10 10.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 8.14263e+03 8.89816e+03 1.96600e+04 3.81674e+02 -7.25931e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.81243e+03 1.17946e+05 5.42507e+05 -3.50352e+06 3.06323e+04 Potential Pressure (bar) -2.76926e+06 6.78314e+02 Step Time 11 11.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 8.02584e+03 1.01842e+04 1.96361e+04 3.96779e+02 -7.56139e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.76325e+03 1.18015e+05 5.38112e+05 -3.51031e+06 3.00906e+04 Potential Pressure (bar) -2.77984e+06 3.33660e+02 Step Time 12 12.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.44699e+04 9.56976e+03 1.96748e+04 3.79068e+02 -7.26362e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.70588e+03 1.17856e+05 5.32460e+05 -3.51685e+06 2.93498e+04 Potential Pressure (bar) -2.78711e+06 7.11010e+01 Step Time 13 13.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.10394e+04 1.10648e+04 1.96495e+04 4.74255e+02 -7.59811e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.67056e+03 1.17941e+05 5.29420e+05 -3.52235e+06 2.89979e+04 Potential Pressure (bar) -2.79786e+06 -1.93231e+02 Step Time 14 14.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.28015e+03 8.53082e+03 1.96808e+04 4.63330e+02 -7.50540e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.69877e+03 1.17834e+05 5.26305e+05 -3.52600e+06 2.85352e+04 Potential Pressure (bar) -2.81342e+06 -2.57722e+02 Step Time 15 15.00000 Step Time 16 16.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.99080e+03 8.58533e+03 1.96700e+04 8.83113e+02 -7.68690e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.63488e+03 1.17877e+05 5.23011e+05 -3.53145e+06 2.81355e+04 Potential Pressure (bar) -2.82343e+06 -4.81394e+02 Step Time 17 17.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 7.42119e+03 8.45085e+03 1.96447e+04 3.54653e+02 -7.48993e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.56325e+03 1.17839e+05 5.19324e+05 -3.53678e+06 2.76080e+04 Potential Pressure (bar) -2.83032e+06 -6.53650e+02 Step Time 18 18.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.88330e+03 8.99582e+03 1.96515e+04 7.84271e+02 -7.69919e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.54256e+03 1.17881e+05 5.16992e+05 -3.54138e+06 2.73305e+04 Potential Pressure (bar) -2.83809e+06 -8.48327e+02 Step Time 19 19.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.44679e+03 8.04950e+03 1.96613e+04 3.65607e+02 -7.58977e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.50543e+03 1.17864e+05 5.14725e+05 -3.54446e+06 2.69998e+04 Potential Pressure (bar) -2.84561e+06 -9.19529e+02 Step Time 20 20.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 8.75441e+03 9.10347e+03 1.96699e+04 3.40390e+03 -7.72896e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.46239e+03 1.17888e+05 5.11586e+05 -3.55051e+06 2.66302e+04 Potential Pressure (bar) -2.84779e+06 -1.18424e+03 Step Time 21 21.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 8.27041e+03 9.69003e+03 1.96921e+04 3.63521e+02 -7.60002e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.46209e+03 1.17845e+05 5.08976e+05 -3.55440e+06 2.62040e+04 Potential Pressure (bar) -2.85766e+06 -1.26537e+03 Step Time 22 22.00000 Step Time 23 23.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 6.54352e+03 9.56489e+03 1.96942e+04 2.16556e+03 -7.73535e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.42637e+03 1.17891e+05 5.06430e+05 -3.55942e+06 2.59323e+04 Potential Pressure (bar) -2.86554e+06 -1.46269e+03 Step Time 24 24.00000 Step Time 25 25.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.56302e+03 7.79186e+03 1.96732e+04 4.93687e+02 -7.62919e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.42083e+03 1.17833e+05 5.04713e+05 -3.56215e+06 2.56408e+04 Potential Pressure (bar) -2.87679e+06 -1.47780e+03 Step Time 26 26.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.04050e+04 9.99434e+03 1.96879e+04 1.97678e+03 -7.74202e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.37262e+03 1.17890e+05 5.01252e+05 -3.56929e+06 2.52296e+04 Potential Pressure (bar) -2.87726e+06 -1.80041e+03 Step Time 27 27.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.34821e+03 7.68950e+03 1.96633e+04 3.92235e+02 -7.70163e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.37396e+03 1.17836e+05 4.99750e+05 -3.57159e+06 2.49520e+04 Potential Pressure (bar) -2.89136e+06 -1.77031e+03 Step Time 28 28.00000 Step Time 29 29.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.74731e+03 7.63699e+03 1.96622e+04 6.99013e+02 -7.78740e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.34556e+03 1.17880e+05 4.98334e+05 -3.57468e+06 2.47950e+04 Potential Pressure (bar) -2.89736e+06 -1.88558e+03 Step Time 30 30.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.84749e+03 7.70104e+03 1.96467e+04 3.39966e+02 -7.76752e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.35198e+03 1.17832e+05 4.96271e+05 -3.57854e+06 2.44630e+04 Potential Pressure (bar) -2.90187e+06 -1.97406e+03 Step Time 31 31.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.55692e+03 8.05082e+03 1.96421e+04 5.11367e+02 -7.87046e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.31624e+03 1.17890e+05 4.94862e+05 -3.58188e+06 2.43158e+04 Potential Pressure (bar) -2.90652e+06 -2.11369e+03 Step Time 32 32.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.58254e+03 7.73885e+03 1.96478e+04 3.42140e+02 -7.81729e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.33657e+03 1.17833e+05 4.93269e+05 -3.58477e+06 2.40388e+04 Potential Pressure (bar) -2.91076e+06 -2.15706e+03 Step Time 33 33.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 7.74123e+03 8.80314e+03 1.96821e+04 1.98603e+03 -8.13475e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.34522e+03 1.17897e+05 4.91910e+05 -3.58848e+06 2.38913e+04 Potential Pressure (bar) -2.91104e+06 -2.32815e+03 Step Time 34 34.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.36341e+03 7.64501e+03 1.96590e+04 3.50296e+02 -7.91414e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.31876e+03 1.17845e+05 4.90778e+05 -3.59020e+06 2.36899e+04 Potential Pressure (bar) -2.91934e+06 -2.32174e+03 Step Time 35 35.00000 Step Time 36 36.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.11763e+03 7.21599e+03 1.96645e+04 5.77123e+02 -8.02140e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.35364e+03 1.17869e+05 4.89901e+05 -3.59232e+06 2.35905e+04 Potential Pressure (bar) -2.92583e+06 -2.37858e+03 Step Time 37 37.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.87390e+03 7.46232e+03 1.96899e+04 3.51176e+02 -7.91803e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.27628e+03 1.17888e+05 4.87538e+05 -3.59731e+06 2.32395e+04 Potential Pressure (bar) -2.93078e+06 -2.51046e+03 Step Time 38 38.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.26713e+03 7.86341e+03 1.97001e+04 1.85910e+03 -7.85730e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.22173e+03 1.17941e+05 4.86220e+05 -3.60053e+06 2.31151e+04 Potential Pressure (bar) -2.93313e+06 -2.64475e+03 Step Time 39 39.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 7.60839e+03 7.72244e+03 1.96833e+04 3.36974e+02 -7.94218e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.23367e+03 1.17889e+05 4.85053e+05 -3.60297e+06 2.28788e+04 Potential Pressure (bar) -2.93636e+06 -2.67685e+03 Step Time 40 40.00000 Step Time 41 41.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86780e+03 7.10423e+03 1.96783e+04 6.12492e+02 -7.96290e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.21115e+03 1.17932e+05 4.84408e+05 -3.60462e+06 2.28292e+04 Potential Pressure (bar) -2.94477e+06 -2.71593e+03 Step Time 42 42.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.78348e+03 7.53962e+03 1.96891e+04 3.73706e+02 -8.02281e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.24362e+03 1.17894e+05 4.81673e+05 -3.61096e+06 2.23872e+04 Potential Pressure (bar) -2.95118e+06 -2.87403e+03 Step Time 43 43.00000 Step Time 44 44.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.29447e+03 7.14933e+03 1.96835e+04 6.88384e+02 -8.15641e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.23320e+03 1.17939e+05 4.80982e+05 -3.61292e+06 2.23098e+04 Potential Pressure (bar) -2.95645e+06 -2.93951e+03 Step Time 45 45.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.80303e+03 7.35875e+03 1.96608e+04 3.30626e+02 -8.02256e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.18777e+03 1.17919e+05 4.79599e+05 -3.61604e+06 2.20940e+04 Potential Pressure (bar) -2.95889e+06 -3.00248e+03 Step Time 46 46.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.12594e+03 7.57843e+03 1.96611e+04 3.74904e+02 -8.14602e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.16159e+03 1.17972e+05 4.78867e+05 -3.61834e+06 2.20185e+04 Potential Pressure (bar) -2.96240e+06 -3.09953e+03 Step Time 47 47.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 7.52619e+03 7.59165e+03 1.96818e+04 3.32787e+02 -8.02383e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.16369e+03 1.17923e+05 4.77705e+05 -3.62080e+06 2.18115e+04 Potential Pressure (bar) -2.96287e+06 -3.13255e+03 Step Time 48 48.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 8.03950e+03 8.55391e+03 1.97182e+04 2.00167e+03 -8.00576e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.12247e+03 1.17999e+05 4.76925e+05 -3.62332e+06 2.17636e+04 Potential Pressure (bar) -2.96300e+06 -3.27130e+03 Step Time 49 49.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.07604e+04 8.23511e+03 1.97015e+04 3.30051e+02 -8.02883e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.14614e+03 1.17924e+05 4.76029e+05 -3.62517e+06 2.15553e+04 Potential Pressure (bar) -2.96529e+06 -3.26024e+03 Step Time 50 50.00000 Step Time 51 51.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06176e+03 7.04672e+03 1.96957e+04 6.45513e+02 -8.10034e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.11790e+03 1.17986e+05 4.75611e+05 -3.62650e+06 2.15394e+04 Potential Pressure (bar) -2.97661e+06 -3.28666e+03 Step Time 52 52.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.59699e+03 7.55730e+03 1.97081e+04 3.70862e+02 -8.12515e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.16211e+03 1.17934e+05 4.73889e+05 -3.63093e+06 2.12294e+04 Potential Pressure (bar) -2.97929e+06 -3.38009e+03 Step Time 53 53.00000 Step Time 54 54.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.46916e+03 7.29885e+03 1.97011e+04 7.66667e+02 -8.27105e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.14685e+03 1.17994e+05 4.73346e+05 -3.63282e+06 2.11690e+04 Potential Pressure (bar) -2.98376e+06 -3.45792e+03 Step Time 55 55.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 6.81716e+03 7.52382e+03 1.96771e+04 3.27213e+02 -8.11593e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.11104e+03 1.17949e+05 4.72411e+05 -3.63500e+06 2.10083e+04 Potential Pressure (bar) -2.98398e+06 -3.48024e+03 Step Time 56 56.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 6.13684e+03 7.97942e+03 1.96901e+04 5.90951e+02 -8.23904e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.08898e+03 1.18020e+05 4.71941e+05 -3.63703e+06 2.09623e+04 Potential Pressure (bar) -2.98644e+06 -3.58515e+03 Step Time 57 57.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 6.94904e+03 7.43199e+03 1.96995e+04 3.35635e+02 -8.13151e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.08187e+03 1.17971e+05 4.71166e+05 -3.63855e+06 2.08175e+04 Potential Pressure (bar) -2.98891e+06 -3.57009e+03 Step Time 58 58.00000 Step Time 59 59.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92554e+03 6.80509e+03 1.96990e+04 5.14422e+02 -8.18859e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.05753e+03 1.18022e+05 4.70811e+05 -3.63981e+06 2.07919e+04 Potential Pressure (bar) -2.99600e+06 -3.60703e+03 Step Time 60 60.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 6.90743e+03 7.51597e+03 1.97074e+04 3.42732e+02 -8.18911e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.08240e+03 1.17959e+05 4.69332e+05 -3.64392e+06 2.05158e+04 Potential Pressure (bar) -2.99638e+06 -3.69457e+03 Step Time 61 61.00000 Step Time 62 62.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.68218e+03 6.68315e+03 1.96993e+04 4.60908e+02 -8.31647e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.06977e+03 1.18007e+05 4.69059e+05 -3.64497e+06 2.04867e+04 Potential Pressure (bar) -3.00365e+06 -3.72066e+03 Step Time 63 63.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.55038e+03 6.97240e+03 1.97002e+04 3.46400e+02 -8.22935e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.02627e+03 1.18012e+05 4.67322e+05 -3.65010e+06 2.02049e+04 Potential Pressure (bar) -3.00878e+06 -3.83207e+03 Step Time 64 64.00000 Step Time 65 65.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08239e+03 6.70506e+03 1.96944e+04 3.71335e+02 -8.27772e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.01009e+03 1.18049e+05 4.66973e+05 -3.65143e+06 2.01576e+04 Potential Pressure (bar) -3.01222e+06 -3.87971e+03 Step Time 66 66.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.45973e+03 7.16699e+03 1.96949e+04 3.23873e+02 -8.24951e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 6.02109e+03 1.17997e+05 4.66017e+05 -3.65421e+06 1.99778e+04 Potential Pressure (bar) -3.01238e+06 -3.92525e+03 Step Time 67 67.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.62577e+03 7.05269e+03 1.96915e+04 3.37027e+02 -8.34763e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.99711e+03 1.18060e+05 4.65691e+05 -3.65569e+06 1.99393e+04 Potential Pressure (bar) -3.01613e+06 -3.99521e+03 Step Time 68 68.00000 Step Time 69 69.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97504e+03 6.59358e+03 1.96954e+04 3.23816e+02 -8.30190e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.99935e+03 1.18029e+05 4.65294e+05 -3.65666e+06 1.98617e+04 Potential Pressure (bar) -3.01972e+06 -3.97802e+03 Step Time 70 70.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.59426e+03 7.25410e+03 1.96956e+04 3.31670e+02 -8.36360e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.97785e+03 1.18074e+05 4.64501e+05 -3.65972e+06 1.97337e+04 Potential Pressure (bar) -3.02039e+06 -4.09552e+03 Step Time 71 71.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.79580e+03 6.69570e+03 1.97016e+04 3.21639e+02 -8.31412e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.98370e+03 1.18029e+05 4.64059e+05 -3.66076e+06 1.96442e+04 Potential Pressure (bar) -3.02436e+06 -4.06752e+03 Step Time 72 72.00000 Step Time 73 73.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91806e+03 6.58354e+03 1.96997e+04 3.24951e+02 -8.35594e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.97086e+03 1.18061e+05 4.63778e+05 -3.66193e+06 1.96016e+04 Potential Pressure (bar) -3.02683e+06 -4.11082e+03 Step Time 74 74.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.41076e+03 6.77109e+03 1.97065e+04 3.20794e+02 -8.33034e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.97082e+03 1.18030e+05 4.63073e+05 -3.66416e+06 1.94666e+04 Potential Pressure (bar) -3.02825e+06 -4.14281e+03 Step Time 75 75.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.40597e+03 6.67545e+03 1.97036e+04 3.25357e+02 -8.38227e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.95479e+03 1.18073e+05 4.62795e+05 -3.66543e+06 1.94257e+04 Potential Pressure (bar) -3.03091e+06 -4.19463e+03 Step Time 76 76.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.60943e+03 6.92410e+03 1.97116e+04 3.19587e+02 -8.34046e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.96008e+03 1.18027e+05 4.62200e+05 -3.66726e+06 1.93063e+04 Potential Pressure (bar) -3.03103e+06 -4.21186e+03 Step Time 77 77.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.33910e+03 6.89367e+03 1.97074e+04 3.25819e+02 -8.40544e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.94011e+03 1.18084e+05 4.61943e+05 -3.66858e+06 1.92705e+04 Potential Pressure (bar) -3.03392e+06 -4.27386e+03 Step Time 78 78.00000 Step Time 79 79.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80800e+03 6.48957e+03 1.97116e+04 3.20676e+02 -8.38452e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.94325e+03 1.18056e+05 4.61645e+05 -3.66939e+06 1.92080e+04 Potential Pressure (bar) -3.03705e+06 -4.25724e+03 Step Time 80 80.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.30672e+03 7.07274e+03 1.97121e+04 3.26232e+02 -8.43247e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.92292e+03 1.18096e+05 4.60900e+05 -3.67257e+06 1.90725e+04 Potential Pressure (bar) -3.03800e+06 -4.36883e+03 Step Time 81 81.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.34507e+03 6.54910e+03 1.97179e+04 3.18916e+02 -8.40115e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.92786e+03 1.18055e+05 4.60567e+05 -3.67342e+06 1.90011e+04 Potential Pressure (bar) -3.04178e+06 -4.34058e+03 Step Time 82 82.00000 Step Time 83 83.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97709e+03 6.51858e+03 1.97164e+04 3.21516e+02 -8.43295e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.91684e+03 1.18083e+05 4.60319e+05 -3.67457e+06 1.89577e+04 Potential Pressure (bar) -3.04360e+06 -4.38193e+03 Step Time 84 84.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.85522e+03 6.61207e+03 1.97224e+04 3.17964e+02 -8.41371e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.91755e+03 1.18055e+05 4.59850e+05 -3.67621e+06 1.88602e+04 Potential Pressure (bar) -3.04486e+06 -4.39855e+03 Step Time 85 85.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.46275e+03 6.61243e+03 1.97199e+04 3.21562e+02 -8.45342e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.90383e+03 1.18093e+05 4.59614e+05 -3.67742e+06 1.88190e+04 Potential Pressure (bar) -3.04672e+06 -4.44782e+03 Step Time 86 86.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.87669e+03 6.74110e+03 1.97270e+04 3.16815e+02 -8.42242e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.90858e+03 1.18050e+05 4.59186e+05 -3.67887e+06 1.87265e+04 Potential Pressure (bar) -3.04718e+06 -4.45447e+03 Step Time 87 87.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.37831e+03 6.82841e+03 1.97233e+04 3.21900e+02 -8.47265e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.89141e+03 1.18102e+05 4.58975e+05 -3.68012e+06 1.86909e+04 Potential Pressure (bar) -3.04905e+06 -4.51354e+03 Step Time 88 88.00000 Step Time 89 89.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.70864e+03 6.41466e+03 1.97272e+04 3.17627e+02 -8.45753e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.89418e+03 1.18075e+05 4.58745e+05 -3.68078e+06 1.86399e+04 Potential Pressure (bar) -3.05211e+06 -4.49482e+03 Step Time 90 90.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.40160e+03 6.99745e+03 1.97287e+04 3.22038e+02 -8.50098e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.87322e+03 1.18113e+05 4.57989e+05 -3.68441e+06 1.84833e+04 Potential Pressure (bar) -3.05336e+06 -4.61055e+03 Step Time 91 91.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.11519e+03 6.45350e+03 1.97342e+04 3.15760e+02 -8.47805e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.87742e+03 1.18074e+05 4.57726e+05 -3.68511e+06 1.84249e+04 Potential Pressure (bar) -3.05724e+06 -4.57969e+03 Step Time 92 92.00000 Step Time 93 93.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08091e+03 6.47350e+03 1.97329e+04 3.17906e+02 -8.50427e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.86744e+03 1.18100e+05 4.57510e+05 -3.68628e+06 1.83803e+04 Potential Pressure (bar) -3.05866e+06 -4.62002e+03 Step Time 94 94.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.57273e+03 6.50986e+03 1.97382e+04 3.14749e+02 -8.48874e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.86874e+03 1.18072e+05 4.57187e+05 -3.68752e+06 1.83068e+04 Potential Pressure (bar) -3.05980e+06 -4.62661e+03 Step Time 95 95.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.60429e+03 6.57869e+03 1.97358e+04 3.17813e+02 -8.52147e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.85647e+03 1.18107e+05 4.56991e+05 -3.68871e+06 1.82663e+04 Potential Pressure (bar) -3.06110e+06 -4.67430e+03 Step Time 96 96.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.52436e+03 6.62889e+03 1.97425e+04 3.13646e+02 -8.49658e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.86112e+03 1.18066e+05 4.56676e+05 -3.68987e+06 1.81927e+04 Potential Pressure (bar) -3.06172e+06 -4.67317e+03 Step Time 97 97.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.57909e+03 6.81534e+03 1.97389e+04 3.18169e+02 -8.53823e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.84576e+03 1.18114e+05 4.56511e+05 -3.69106e+06 1.81585e+04 Potential Pressure (bar) -3.06284e+06 -4.73055e+03 Step Time 98 98.00000 Step Time 99 99.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.65499e+03 6.35608e+03 1.97425e+04 3.14265e+02 -8.52644e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.84829e+03 1.18088e+05 4.56328e+05 -3.69161e+06 1.81156e+04 Potential Pressure (bar) -3.06602e+06 -4.70875e+03 Step Time 100 100.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.81027e+03 6.98961e+03 1.97453e+04 3.18273e+02 -8.57097e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.82527e+03 1.18125e+05 4.55532e+05 -3.69604e+06 1.79250e+04 Potential Pressure (bar) -3.06762e+06 -4.83710e+03 Step Time 101 101.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97847e+03 6.38127e+03 1.97505e+04 3.12197e+02 -8.55302e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.82876e+03 1.18088e+05 4.55316e+05 -3.69661e+06 1.78759e+04 Potential Pressure (bar) -3.07193e+06 -4.80157e+03 Step Time 102 102.00000 Step Time 103 103.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.24380e+03 6.44395e+03 1.97493e+04 3.14077e+02 -8.57619e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.81952e+03 1.18111e+05 4.55130e+05 -3.69781e+06 1.78301e+04 Potential Pressure (bar) -3.07303e+06 -4.84174e+03 Step Time 104 104.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.41784e+03 6.43570e+03 1.97542e+04 3.11115e+02 -8.56277e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.82122e+03 1.18084e+05 4.54904e+05 -3.69878e+06 1.77734e+04 Potential Pressure (bar) -3.07413e+06 -4.84088e+03 Step Time 105 105.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.84083e+03 6.56957e+03 1.97518e+04 3.13924e+02 -8.59146e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.81008e+03 1.18116e+05 4.54749e+05 -3.69994e+06 1.77342e+04 Potential Pressure (bar) -3.07491e+06 -4.88789e+03 Step Time 106 106.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.36951e+03 6.55502e+03 1.97582e+04 3.10066e+02 -8.56978e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.81469e+03 1.18076e+05 4.54515e+05 -3.70089e+06 1.76744e+04 Potential Pressure (bar) -3.07567e+06 -4.88030e+03 Step Time 107 107.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.94381e+03 6.84676e+03 1.97547e+04 3.14479e+02 -8.60636e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.80079e+03 1.18122e+05 4.54398e+05 -3.70203e+06 1.76431e+04 Potential Pressure (bar) -3.07606e+06 -4.93706e+03 Step Time 108 108.00000 Step Time 109 109.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.62454e+03 6.30604e+03 1.97579e+04 3.10549e+02 -8.59668e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.80304e+03 1.18096e+05 4.54249e+05 -3.70249e+06 1.76056e+04 Potential Pressure (bar) -3.07959e+06 -4.91125e+03 Step Time 110 110.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.67454e+03 7.03752e+03 1.97625e+04 3.15385e+02 -8.64920e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.77556e+03 1.18131e+05 4.53371e+05 -3.70842e+06 1.73532e+04 Potential Pressure (bar) -3.08186e+06 -5.06642e+03 Step Time 111 111.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87506e+03 6.31806e+03 1.97678e+04 3.08252e+02 -8.63482e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.77785e+03 1.18096e+05 4.53185e+05 -3.70887e+06 1.73110e+04 Potential Pressure (bar) -3.08710e+06 -5.02339e+03 Step Time 112 112.00000 Step Time 113 113.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.49760e+03 6.42731e+03 1.97667e+04 3.09953e+02 -8.65634e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.76942e+03 1.18116e+05 4.53033e+05 -3.71014e+06 1.72637e+04 Potential Pressure (bar) -3.08783e+06 -5.06392e+03 Step Time 114 114.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.32412e+03 6.37455e+03 1.97712e+04 3.06912e+02 -8.64411e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.77114e+03 1.18089e+05 4.52876e+05 -3.71090e+06 1.72194e+04 Potential Pressure (bar) -3.08903e+06 -5.05696e+03 Step Time 115 115.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.20007e+03 6.58240e+03 1.97689e+04 3.09659e+02 -8.67030e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.76132e+03 1.18119e+05 4.52769e+05 -3.71204e+06 1.71826e+04 Potential Pressure (bar) -3.08922e+06 -5.10351e+03 Step Time 116 116.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.33099e+03 6.50338e+03 1.97750e+04 3.05935e+02 -8.65030e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.76557e+03 1.18080e+05 4.52597e+05 -3.71281e+06 1.71340e+04 Potential Pressure (bar) -3.09019e+06 -5.09042e+03 Step Time 117 117.00000 Step Time 118 118.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.64564e+03 6.27121e+03 1.97725e+04 3.07063e+02 -8.67265e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.75786e+03 1.18104e+05 4.52545e+05 -3.71335e+06 1.71162e+04 Potential Pressure (bar) -3.09270e+06 -5.10477e+03 Step Time 119 119.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.91985e+03 6.60185e+03 1.97806e+04 3.05047e+02 -8.67437e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.75220e+03 1.18077e+05 4.52119e+05 -3.71643e+06 1.69749e+04 Potential Pressure (bar) -3.09377e+06 -5.15304e+03 Step Time 120 120.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96013e+03 6.31176e+03 1.97770e+04 3.06581e+02 -8.70045e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.74186e+03 1.18110e+05 4.52064e+05 -3.71705e+06 1.69558e+04 Potential Pressure (bar) -3.09669e+06 -5.17146e+03 Step Time 121 121.00000 Step Time 122 122.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99244e+03 6.30369e+03 1.97804e+04 3.04781e+02 -8.69601e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.74286e+03 1.18091e+05 4.51943e+05 -3.71783e+06 1.69161e+04 Potential Pressure (bar) -3.09763e+06 -5.17283e+03 Step Time 123 123.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.27665e+03 6.37130e+03 1.97793e+04 3.06051e+02 -8.71363e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.73470e+03 1.18112e+05 4.51857e+05 -3.71880e+06 1.68819e+04 Potential Pressure (bar) -3.09836e+06 -5.20390e+03 Step Time 124 124.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.43708e+03 6.35576e+03 1.97834e+04 3.03954e+02 -8.70547e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.73714e+03 1.18086e+05 4.51732e+05 -3.71958e+06 1.68409e+04 Potential Pressure (bar) -3.09917e+06 -5.20085e+03 Step Time 125 125.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.86717e+03 6.50292e+03 1.97817e+04 3.05997e+02 -8.72683e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.72749e+03 1.18115e+05 4.51669e+05 -3.72053e+06 1.68106e+04 Potential Pressure (bar) -3.09962e+06 -5.23779e+03 Step Time 126 126.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.42482e+03 6.46642e+03 1.97868e+04 3.03237e+02 -8.71311e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.73229e+03 1.18077e+05 4.51535e+05 -3.72129e+06 1.67681e+04 Potential Pressure (bar) -3.10007e+06 -5.22984e+03 Step Time 127 127.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.95821e+03 6.79961e+03 1.97853e+04 3.08134e+02 -8.73983e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.72031e+03 1.18118e+05 4.51502e+05 -3.72223e+06 1.67429e+04 Potential Pressure (bar) -3.10017e+06 -5.27520e+03 Step Time 128 128.00000 Step Time 129 129.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.63524e+03 6.23274e+03 1.97865e+04 3.03396e+02 -8.73349e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.72231e+03 1.18093e+05 4.51401e+05 -3.72260e+06 1.67143e+04 Potential Pressure (bar) -3.10358e+06 -5.24994e+03 Step Time 130 130.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 5.86131e+03 6.92594e+03 1.97909e+04 3.06228e+02 -8.77699e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.70165e+03 1.18121e+05 4.51046e+05 -3.72733e+06 1.65305e+04 Potential Pressure (bar) -3.10393e+06 -5.36999e+03 Step Time 131 131.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91720e+03 6.25745e+03 1.97947e+04 3.01390e+02 -8.76729e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.70310e+03 1.18087e+05 4.50893e+05 -3.72771e+06 1.64987e+04 Potential Pressure (bar) -3.10914e+06 -5.32833e+03 Step Time 132 132.00000 Step Time 133 133.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.54827e+03 6.35366e+03 1.97940e+04 3.02615e+02 -8.78493e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.69648e+03 1.18104e+05 4.50837e+05 -3.72875e+06 1.64624e+04 Potential Pressure (bar) -3.10953e+06 -5.36005e+03 Step Time 134 134.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.41825e+03 6.31927e+03 1.97976e+04 3.00404e+02 -8.77649e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.69794e+03 1.18079e+05 4.50748e+05 -3.72940e+06 1.64297e+04 Potential Pressure (bar) -3.11048e+06 -5.35279e+03 Step Time 135 135.00000 Step Time 136 136.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.65133e+03 6.20952e+03 1.97965e+04 3.00994e+02 -8.78920e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.69306e+03 1.18093e+05 4.50723e+05 -3.72987e+06 1.64129e+04 Potential Pressure (bar) -3.11187e+06 -5.36436e+03 Step Time 137 137.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.81917e+03 6.37915e+03 1.98018e+04 2.99530e+02 -8.79431e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.68888e+03 1.18073e+05 4.50551e+05 -3.73196e+06 1.63252e+04 Potential Pressure (bar) -3.11290e+06 -5.39109e+03 Step Time 138 138.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85103e+03 6.23398e+03 1.97998e+04 3.00381e+02 -8.81028e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.68227e+03 1.18094e+05 4.50531e+05 -3.73250e+06 1.63074e+04 Potential Pressure (bar) -3.11458e+06 -5.40590e+03 Step Time 139 139.00000 Step Time 140 140.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80436e+03 6.22607e+03 1.98022e+04 2.99293e+02 -8.80924e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.68229e+03 1.18081e+05 4.50472e+05 -3.73314e+06 1.62785e+04 Potential Pressure (bar) -3.11538e+06 -5.40719e+03 Step Time 141 141.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06937e+03 6.26838e+03 1.98019e+04 2.99962e+02 -8.82269e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.67621e+03 1.18095e+05 4.50433e+05 -3.73404e+06 1.62470e+04 Potential Pressure (bar) -3.11603e+06 -5.43057e+03 Step Time 142 142.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05420e+03 6.25692e+03 1.98047e+04 2.98609e+02 -8.81936e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.67716e+03 1.18076e+05 4.50371e+05 -3.73468e+06 1.62172e+04 Potential Pressure (bar) -3.11680e+06 -5.42871e+03 Step Time 143 143.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.47087e+03 6.34650e+03 1.98039e+04 2.99738e+02 -8.83499e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.67022e+03 1.18096e+05 4.50349e+05 -3.73554e+06 1.61891e+04 Potential Pressure (bar) -3.11720e+06 -5.45598e+03 Step Time 144 144.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.62067e+03 6.32458e+03 1.98075e+04 2.97997e+02 -8.82835e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.67262e+03 1.18069e+05 4.50281e+05 -3.73619e+06 1.61580e+04 Potential Pressure (bar) -3.11784e+06 -5.45040e+03 Step Time 145 145.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.21529e+03 6.52287e+03 1.98062e+04 3.00099e+02 -8.84723e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.66430e+03 1.18097e+05 4.50279e+05 -3.73702e+06 1.61340e+04 Potential Pressure (bar) -3.11788e+06 -5.48365e+03 Step Time 146 146.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.90214e+03 6.46490e+03 1.98108e+04 2.97591e+02 -8.83553e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.66905e+03 1.18059e+05 4.50202e+05 -3.73767e+06 1.61015e+04 Potential Pressure (bar) -3.11805e+06 -5.47419e+03 Step Time 147 147.00000 Step Time 148 148.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.63376e+03 6.18875e+03 1.98086e+04 2.97990e+02 -8.85073e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.66199e+03 1.18081e+05 4.50190e+05 -3.73807e+06 1.60862e+04 Potential Pressure (bar) -3.12101e+06 -5.47892e+03 Step Time 149 149.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.42966e+03 6.62549e+03 1.98186e+04 2.97211e+02 -8.86950e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.65405e+03 1.18054e+05 4.50039e+05 -3.74170e+06 1.59453e+04 Potential Pressure (bar) -3.12172e+06 -5.53286e+03 Step Time 150 150.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05944e+03 6.23216e+03 1.98141e+04 2.99369e+02 -8.88480e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.64465e+03 1.18085e+05 4.50022e+05 -3.74219e+06 1.59275e+04 Potential Pressure (bar) -3.12500e+06 -5.54054e+03 Step Time 151 151.00000 Step Time 152 152.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08225e+03 6.23740e+03 1.98166e+04 2.96267e+02 -8.88485e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.64669e+03 1.18066e+05 4.49988e+05 -3.74281e+06 1.59023e+04 Potential Pressure (bar) -3.12566e+06 -5.53947e+03 Step Time 153 153.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.39439e+03 6.31281e+03 1.98163e+04 2.97348e+02 -8.89636e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.63967e+03 1.18085e+05 4.49987e+05 -3.74357e+06 1.58770e+04 Potential Pressure (bar) -3.12605e+06 -5.56224e+03 Step Time 154 154.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.63849e+03 6.29124e+03 1.98191e+04 2.95751e+02 -8.89469e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.64298e+03 1.18058e+05 4.49947e+05 -3.74418e+06 1.58513e+04 Potential Pressure (bar) -3.12653e+06 -5.55786e+03 Step Time 155 155.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.04461e+03 6.48102e+03 1.98192e+04 2.98108e+02 -8.90796e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.63430e+03 1.18085e+05 4.49965e+05 -3.74494e+06 1.58280e+04 Potential Pressure (bar) -3.12668e+06 -5.58605e+03 Step Time 156 156.00000 Step Time 157 157.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.62829e+03 6.16316e+03 1.98194e+04 2.95602e+02 -8.90683e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.63575e+03 1.18067e+05 4.49924e+05 -3.74524e+06 1.58112e+04 Potential Pressure (bar) -3.12879e+06 -5.57119e+03 Step Time 158 158.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 4.07185e+03 6.47619e+03 1.98239e+04 2.99684e+02 -8.94670e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.61825e+03 1.18080e+05 4.49923e+05 -3.74960e+06 1.56556e+04 Potential Pressure (bar) -3.13054e+06 -5.65256e+03 Step Time 159 159.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.76841e+03 6.17408e+03 1.98260e+04 2.93830e+02 -8.94448e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.61918e+03 1.18057e+05 4.49852e+05 -3.74992e+06 1.56384e+04 Potential Pressure (bar) -3.13358e+06 -5.62903e+03 Step Time 160 160.00000 Step Time 161 161.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.20447e+03 6.22093e+03 1.98262e+04 2.94066e+02 -8.95541e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.61404e+03 1.18067e+05 4.49869e+05 -3.75082e+06 1.56081e+04 Potential Pressure (bar) -3.13401e+06 -5.64949e+03 Step Time 162 162.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04373e+03 6.20550e+03 1.98279e+04 2.92922e+02 -8.95542e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.61497e+03 1.18049e+05 4.49849e+05 -3.75133e+06 1.55880e+04 Potential Pressure (bar) -3.13476e+06 -5.64512e+03 Step Time 163 163.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.65350e+03 6.31812e+03 1.98278e+04 2.93733e+02 -8.96683e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.60899e+03 1.18067e+05 4.49880e+05 -3.75213e+06 1.55629e+04 Potential Pressure (bar) -3.13481e+06 -5.66923e+03 Step Time 164 164.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.67681e+03 6.27498e+03 1.98302e+04 2.92441e+02 -8.96510e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.61150e+03 1.18041e+05 4.49853e+05 -3.75266e+06 1.55416e+04 Potential Pressure (bar) -3.13544e+06 -5.66180e+03 Step Time 165 165.00000 Step Time 166 166.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.66167e+03 6.14844e+03 1.98294e+04 2.92653e+02 -8.97257e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.60672e+03 1.18055e+05 4.49863e+05 -3.75304e+06 1.55279e+04 Potential Pressure (bar) -3.13695e+06 -5.66806e+03 Step Time 167 167.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.17734e+03 6.36006e+03 1.98341e+04 2.91926e+02 -8.98522e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.60333e+03 1.18034e+05 4.49882e+05 -3.75507e+06 1.54568e+04 Potential Pressure (bar) -3.13733e+06 -5.69149e+03 Step Time 168 168.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90091e+03 6.17814e+03 1.98324e+04 2.92283e+02 -8.99421e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.59698e+03 1.18054e+05 4.49897e+05 -3.75551e+06 1.54415e+04 Potential Pressure (bar) -3.13922e+06 -5.69983e+03 Step Time 169 169.00000 Step Time 170 170.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89794e+03 6.17936e+03 1.98341e+04 2.91497e+02 -8.99643e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.59781e+03 1.18041e+05 4.49897e+05 -3.75606e+06 1.54213e+04 Potential Pressure (bar) -3.13980e+06 -5.69932e+03 Step Time 171 171.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.14715e+03 6.22306e+03 1.98340e+04 2.91916e+02 -9.00518e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.59244e+03 1.18054e+05 4.49927e+05 -3.75676e+06 1.53992e+04 Potential Pressure (bar) -3.14019e+06 -5.71659e+03 Step Time 172 172.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.23034e+03 6.21688e+03 1.98360e+04 2.91078e+02 -9.00648e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.59429e+03 1.18035e+05 4.49923e+05 -3.75730e+06 1.53789e+04 Potential Pressure (bar) -3.14070e+06 -5.71339e+03 Step Time 173 173.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.60752e+03 6.32526e+03 1.98358e+04 2.91944e+02 -9.01606e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.58782e+03 1.18054e+05 4.49965e+05 -3.75799e+06 1.53584e+04 Potential Pressure (bar) -3.14086e+06 -5.73467e+03 Step Time 174 174.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.98485e+03 6.29291e+03 1.98382e+04 2.90822e+02 -9.01599e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.59140e+03 1.18026e+05 4.49956e+05 -3.75854e+06 1.53381e+04 Potential Pressure (bar) -3.14112e+06 -5.72868e+03 Step Time 175 175.00000 Step Time 176 176.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.64434e+03 6.13329e+03 1.98372e+04 2.90830e+02 -9.02220e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.58619e+03 1.18041e+05 4.49970e+05 -3.75887e+06 1.53254e+04 Potential Pressure (bar) -3.14295e+06 -5.73243e+03 Step Time 177 177.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.45534e+03 6.39436e+03 1.98436e+04 2.90172e+02 -9.04538e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.57994e+03 1.18018e+05 4.50075e+05 -3.76185e+06 1.52261e+04 Potential Pressure (bar) -3.14387e+06 -5.76707e+03 Step Time 178 178.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90064e+03 6.15696e+03 1.98412e+04 2.90969e+02 -9.05209e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.57310e+03 1.18039e+05 4.50093e+05 -3.76225e+06 1.52110e+04 Potential Pressure (bar) -3.14605e+06 -5.77246e+03 Step Time 179 179.00000 Step Time 180 180.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97178e+03 6.17398e+03 1.98429e+04 2.89517e+02 -9.05560e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.57458e+03 1.18025e+05 4.50108e+05 -3.76281e+06 1.51925e+04 Potential Pressure (bar) -3.14653e+06 -5.77204e+03 Step Time 181 181.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.12908e+03 6.20495e+03 1.98427e+04 2.89958e+02 -9.06240e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.56908e+03 1.18038e+05 4.50150e+05 -3.76343e+06 1.51731e+04 Potential Pressure (bar) -3.14694e+06 -5.78705e+03 Step Time 182 182.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.36083e+03 6.21322e+03 1.98447e+04 2.89148e+02 -9.06541e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.57164e+03 1.18018e+05 4.50162e+05 -3.76397e+06 1.51551e+04 Potential Pressure (bar) -3.14727e+06 -5.78430e+03 Step Time 183 183.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.57786e+03 6.31172e+03 1.98445e+04 2.90004e+02 -9.07271e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.56476e+03 1.18037e+05 4.50215e+05 -3.76459e+06 1.51361e+04 Potential Pressure (bar) -3.14752e+06 -5.80323e+03 Step Time 184 184.00000 Step Time 185 185.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.64435e+03 6.11926e+03 1.98450e+04 2.88908e+02 -9.07416e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.56608e+03 1.18024e+05 4.50207e+05 -3.76486e+06 1.51249e+04 Potential Pressure (bar) -3.14895e+06 -5.79313e+03 Step Time 186 186.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.15630e+03 6.32815e+03 1.98478e+04 2.90123e+02 -9.10167e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.55391e+03 1.18031e+05 4.50415e+05 -3.76788e+06 1.50293e+04 Potential Pressure (bar) -3.15014e+06 -5.84093e+03 Step Time 187 187.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.75726e+03 6.13075e+03 1.98490e+04 2.87616e+02 -9.10306e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.55536e+03 1.18013e+05 4.50395e+05 -3.76817e+06 1.50177e+04 Potential Pressure (bar) -3.15208e+06 -5.82545e+03 Step Time 188 188.00000 Step Time 189 189.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99504e+03 6.15100e+03 1.98492e+04 2.87647e+02 -9.11000e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.55121e+03 1.18021e+05 4.50452e+05 -3.76887e+06 1.49958e+04 Potential Pressure (bar) -3.15248e+06 -5.83895e+03 Step Time 190 190.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94539e+03 6.15297e+03 1.98504e+04 2.87167e+02 -9.11310e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.55212e+03 1.18007e+05 4.50472e+05 -3.76934e+06 1.49809e+04 Potential Pressure (bar) -3.15301e+06 -5.83621e+03 Step Time 191 191.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.29892e+03 6.21042e+03 1.98504e+04 2.87468e+02 -9.11991e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.54713e+03 1.18020e+05 4.50535e+05 -3.77000e+06 1.49612e+04 Potential Pressure (bar) -3.15320e+06 -5.85259e+03 Step Time 192 192.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.37404e+03 6.19975e+03 1.98521e+04 2.86842e+02 -9.12269e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.54936e+03 1.18000e+05 4.50552e+05 -3.77048e+06 1.49461e+04 Potential Pressure (bar) -3.15363e+06 -5.84741e+03 Step Time 193 193.00000 Step Time 194 194.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.66005e+03 6.10790e+03 1.98516e+04 2.86851e+02 -9.12644e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.54549e+03 1.18010e+05 4.50578e+05 -3.77079e+06 1.49350e+04 Potential Pressure (bar) -3.15473e+06 -5.85191e+03 Step Time 195 195.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.72520e+03 6.26004e+03 1.98553e+04 2.86370e+02 -9.14305e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.54203e+03 1.17992e+05 4.50732e+05 -3.77281e+06 1.48735e+04 Potential Pressure (bar) -3.15546e+06 -5.87018e+03 Step Time 196 196.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81875e+03 6.12379e+03 1.98541e+04 2.86413e+02 -9.14742e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.53682e+03 1.18007e+05 4.50766e+05 -3.77318e+06 1.48608e+04 Potential Pressure (bar) -3.15684e+06 -5.87618e+03 Step Time 197 197.00000 Step Time 198 198.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84197e+03 6.13439e+03 1.98554e+04 2.85959e+02 -9.15132e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.53756e+03 1.17996e+05 4.50801e+05 -3.77368e+06 1.48455e+04 Potential Pressure (bar) -3.15730e+06 -5.87580e+03 Step Time 199 199.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98313e+03 6.15147e+03 1.98553e+04 2.86077e+02 -9.15685e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.53314e+03 1.18006e+05 4.50860e+05 -3.77426e+06 1.48282e+04 Potential Pressure (bar) -3.15767e+06 -5.88772e+03 Step Time 200 200.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07766e+03 6.16139e+03 1.98568e+04 2.85645e+02 -9.16052e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.53475e+03 1.17990e+05 4.50893e+05 -3.77475e+06 1.48133e+04 Potential Pressure (bar) -3.15806e+06 -5.88531e+03 Step Time 201 201.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.29827e+03 6.21605e+03 1.98566e+04 2.85962e+02 -9.16612e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.52933e+03 1.18004e+05 4.50959e+05 -3.77533e+06 1.47965e+04 Potential Pressure (bar) -3.15830e+06 -5.90026e+03 Step Time 202 202.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.60071e+03 6.21449e+03 1.98584e+04 2.85460e+02 -9.16957e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.53241e+03 1.17983e+05 4.50988e+05 -3.77582e+06 1.47822e+04 Potential Pressure (bar) -3.15849e+06 -5.89569e+03 Step Time 203 203.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.89126e+03 6.36957e+03 1.98583e+04 2.86547e+02 -9.17525e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.52549e+03 1.18004e+05 4.51064e+05 -3.77639e+06 1.47661e+04 Potential Pressure (bar) -3.15855e+06 -5.91498e+03 Step Time 204 204.00000 Step Time 205 205.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.66104e+03 6.09952e+03 1.98586e+04 2.85257e+02 -9.17714e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.52696e+03 1.17989e+05 4.51063e+05 -3.77663e+06 1.47558e+04 Potential Pressure (bar) -3.16031e+06 -5.90165e+03 Step Time 206 206.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.72450e+03 6.39998e+03 1.98611e+04 2.87410e+02 -9.20184e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.51606e+03 1.17998e+05 4.51390e+05 -3.77948e+06 1.46739e+04 Potential Pressure (bar) -3.16054e+06 -5.94769e+03 Step Time 207 207.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80857e+03 6.11721e+03 1.98621e+04 2.84416e+02 -9.20399e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.51754e+03 1.17979e+05 4.51366e+05 -3.77973e+06 1.46637e+04 Potential Pressure (bar) -3.16305e+06 -5.92758e+03 Step Time 208 208.00000 Step Time 209 209.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.13547e+03 6.14931e+03 1.98623e+04 2.84447e+02 -9.20989e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.51364e+03 1.17987e+05 4.51448e+05 -3.78038e+06 1.46447e+04 Potential Pressure (bar) -3.16328e+06 -5.94056e+03 Step Time 210 210.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06541e+03 6.14743e+03 1.98632e+04 2.83937e+02 -9.21307e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.51483e+03 1.17972e+05 4.51481e+05 -3.78080e+06 1.46327e+04 Potential Pressure (bar) -3.16377e+06 -5.93610e+03 Step Time 211 211.00000 Step Time 212 212.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.67514e+03 6.08937e+03 1.98630e+04 2.83908e+02 -9.21605e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.51195e+03 1.17979e+05 4.51517e+05 -3.78111e+06 1.46229e+04 Potential Pressure (bar) -3.16449e+06 -5.94049e+03 Step Time 213 213.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.29378e+03 6.18203e+03 1.98653e+04 2.83539e+02 -9.22770e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.50981e+03 1.17965e+05 4.51672e+05 -3.78251e+06 1.45831e+04 Potential Pressure (bar) -3.16508e+06 -5.95013e+03 Step Time 214 214.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.78847e+03 6.10103e+03 1.98646e+04 2.83532e+02 -9.23114e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.50593e+03 1.17976e+05 4.51717e+05 -3.78287e+06 1.45721e+04 Potential Pressure (bar) -3.16598e+06 -5.95605e+03 Step Time 215 215.00000 Step Time 216 216.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.75837e+03 6.10505e+03 1.98655e+04 2.83255e+02 -9.23462e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.50618e+03 1.17968e+05 4.51762e+05 -3.78330e+06 1.45597e+04 Potential Pressure (bar) -3.16642e+06 -5.95538e+03 Step Time 217 217.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91326e+03 6.11858e+03 1.98655e+04 2.83263e+02 -9.23976e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.50260e+03 1.17974e+05 4.51838e+05 -3.78388e+06 1.45433e+04 Potential Pressure (bar) -3.16677e+06 -5.96536e+03 Step Time 218 218.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89864e+03 6.12316e+03 1.98667e+04 2.82974e+02 -9.24321e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.50348e+03 1.17963e+05 4.51882e+05 -3.78432e+06 1.45311e+04 Potential Pressure (bar) -3.16719e+06 -5.96305e+03 Step Time 219 219.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.14615e+03 6.16004e+03 1.98665e+04 2.83096e+02 -9.24821e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.49925e+03 1.17972e+05 4.51961e+05 -3.78488e+06 1.45156e+04 Potential Pressure (bar) -3.16740e+06 -5.97531e+03 Step Time 220 220.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.21734e+03 6.16015e+03 1.98679e+04 2.82768e+02 -9.25162e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.50111e+03 1.17956e+05 4.52004e+05 -3.78532e+06 1.45034e+04 Potential Pressure (bar) -3.16775e+06 -5.97101e+03 Step Time 221 221.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.58341e+03 6.25675e+03 1.98676e+04 2.83187e+02 -9.25653e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.49591e+03 1.17971e+05 4.52089e+05 -3.78587e+06 1.44888e+04 Potential Pressure (bar) -3.16776e+06 -5.98677e+03 Step Time 222 222.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.93688e+03 6.23258e+03 1.98694e+04 2.82755e+02 -9.25979e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.49929e+03 1.17948e+05 4.52128e+05 -3.78631e+06 1.44772e+04 Potential Pressure (bar) -3.16786e+06 -5.98038e+03 Step Time 223 223.00000 Step Time 224 224.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.67256e+03 6.08410e+03 1.98685e+04 2.82576e+02 -9.26254e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.49490e+03 1.17960e+05 4.52162e+05 -3.78658e+06 1.44671e+04 Potential Pressure (bar) -3.16951e+06 -5.98154e+03 Step Time 225 225.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.41686e+03 6.34050e+03 1.98737e+04 2.82747e+02 -9.28263e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.49103e+03 1.17939e+05 4.52486e+05 -3.78900e+06 1.44024e+04 Potential Pressure (bar) -3.16969e+06 -6.00279e+03 Step Time 226 226.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92196e+03 6.10804e+03 1.98709e+04 2.82613e+02 -9.28576e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.48521e+03 1.17957e+05 4.52527e+05 -3.78933e+06 1.43902e+04 Potential Pressure (bar) -3.17172e+06 -6.00504e+03 Step Time 227 227.00000 Step Time 228 228.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98982e+03 6.12738e+03 1.98724e+04 2.81971e+02 -9.28957e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.48698e+03 1.17944e+05 4.52584e+05 -3.78977e+06 1.43787e+04 Potential Pressure (bar) -3.17204e+06 -6.00292e+03 Step Time 229 229.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.14393e+03 6.15523e+03 1.98719e+04 2.82159e+02 -9.29363e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.48233e+03 1.17955e+05 4.52660e+05 -3.79028e+06 1.43649e+04 Potential Pressure (bar) -3.17229e+06 -6.01408e+03 Step Time 230 230.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.36736e+03 6.16605e+03 1.98735e+04 2.81810e+02 -9.29742e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.48505e+03 1.17938e+05 4.52715e+05 -3.79072e+06 1.43538e+04 Potential Pressure (bar) -3.17247e+06 -6.00995e+03 Step Time 231 231.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.58328e+03 6.25907e+03 1.98730e+04 2.82362e+02 -9.30137e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.47915e+03 1.17953e+05 4.52800e+05 -3.79123e+06 1.43402e+04 Potential Pressure (bar) -3.17259e+06 -6.02475e+03 Step Time 232 232.00000 Step Time 233 233.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.67236e+03 6.07593e+03 1.98734e+04 2.81576e+02 -9.30343e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.48051e+03 1.17942e+05 4.52816e+05 -3.79144e+06 1.43327e+04 Potential Pressure (bar) -3.17389e+06 -6.01440e+03 Step Time 234 234.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.15325e+03 6.28088e+03 1.98748e+04 2.82413e+02 -9.32355e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.47143e+03 1.17947e+05 4.53208e+05 -3.79392e+06 1.42676e+04 Potential Pressure (bar) -3.17436e+06 -6.04754e+03 Step Time 235 235.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.78219e+03 6.08991e+03 1.98757e+04 2.80702e+02 -9.32598e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.47281e+03 1.17931e+05 4.53214e+05 -3.79415e+06 1.42602e+04 Potential Pressure (bar) -3.17617e+06 -6.03217e+03 Step Time 236 236.00000 Step Time 237 237.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02044e+03 6.10951e+03 1.98757e+04 2.80681e+02 -9.33052e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.46952e+03 1.17937e+05 4.53310e+05 -3.79473e+06 1.42447e+04 Potential Pressure (bar) -3.17641e+06 -6.04196e+03 Step Time 238 238.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96520e+03 6.11248e+03 1.98765e+04 2.80455e+02 -9.33385e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.47056e+03 1.17925e+05 4.53361e+05 -3.79511e+06 1.42352e+04 Potential Pressure (bar) -3.17682e+06 -6.03809e+03 Step Time 239 239.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.32297e+03 6.16823e+03 1.98763e+04 2.80601e+02 -9.33797e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.46651e+03 1.17935e+05 4.53456e+05 -3.79565e+06 1.42211e+04 Potential Pressure (bar) -3.17686e+06 -6.05069e+03 Step Time 240 240.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.38366e+03 6.15919e+03 1.98776e+04 2.80327e+02 -9.34145e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.46870e+03 1.17919e+05 4.53507e+05 -3.79604e+06 1.42117e+04 Potential Pressure (bar) -3.17717e+06 -6.04474e+03 Step Time 241 241.00000 Step Time 242 242.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.68968e+03 6.06929e+03 1.98771e+04 2.80226e+02 -9.34353e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.46542e+03 1.17927e+05 4.53549e+05 -3.79630e+06 1.42032e+04 Potential Pressure (bar) -3.17818e+06 -6.04728e+03 Step Time 243 243.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.72904e+03 6.21826e+03 1.98798e+04 2.80191e+02 -9.35670e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.46344e+03 1.17911e+05 4.53810e+05 -3.79792e+06 1.41630e+04 Potential Pressure (bar) -3.17840e+06 -6.05775e+03 Step Time 244 244.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84810e+03 6.08647e+03 1.98784e+04 2.79959e+02 -9.35907e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.45905e+03 1.17923e+05 4.53861e+05 -3.79824e+06 1.41530e+04 Potential Pressure (bar) -3.17968e+06 -6.06144e+03 Step Time 245 245.00000 Step Time 246 246.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86409e+03 6.09731e+03 1.98794e+04 2.79764e+02 -9.36256e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.45996e+03 1.17914e+05 4.53925e+05 -3.79865e+06 1.41429e+04 Potential Pressure (bar) -3.18002e+06 -6.05957e+03 Step Time 247 247.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01398e+03 6.11445e+03 1.98790e+04 2.79757e+02 -9.36619e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.45633e+03 1.17922e+05 4.54011e+05 -3.79913e+06 1.41304e+04 Potential Pressure (bar) -3.18026e+06 -6.06864e+03 Step Time 248 248.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.09516e+03 6.12475e+03 1.98803e+04 2.79604e+02 -9.36975e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.45800e+03 1.17908e+05 4.54073e+05 -3.79953e+06 1.41207e+04 Potential Pressure (bar) -3.18053e+06 -6.06503e+03 Step Time 249 249.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.33221e+03 6.17885e+03 1.98797e+04 2.79749e+02 -9.37321e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.45350e+03 1.17920e+05 4.54164e+05 -3.80002e+06 1.41084e+04 Potential Pressure (bar) -3.18064e+06 -6.07696e+03 Step Time 250 250.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.60949e+03 6.17832e+03 1.98814e+04 2.79600e+02 -9.37686e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.45643e+03 1.17902e+05 4.54224e+05 -3.80042e+06 1.40995e+04 Potential Pressure (bar) -3.18072e+06 -6.07146e+03 Step Time 251 251.00000 Step Time 252 252.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.68288e+03 6.06295e+03 1.98805e+04 2.79378e+02 -9.37861e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.45279e+03 1.17911e+05 4.54264e+05 -3.80066e+06 1.40910e+04 Potential Pressure (bar) -3.18198e+06 -6.07274e+03 Step Time 253 253.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.96027e+03 6.25186e+03 1.98843e+04 2.79358e+02 -9.39786e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.44891e+03 1.17892e+05 4.54687e+05 -3.80305e+06 1.40332e+04 Potential Pressure (bar) -3.18256e+06 -6.08842e+03 Step Time 254 254.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85634e+03 6.07735e+03 1.98821e+04 2.79034e+02 -9.39984e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.44409e+03 1.17906e+05 4.54735e+05 -3.80335e+06 1.40231e+04 Potential Pressure (bar) -3.18408e+06 -6.09071e+03 Step Time 255 255.00000 Step Time 256 256.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92805e+03 6.09943e+03 1.98833e+04 2.78775e+02 -9.40350e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.44551e+03 1.17895e+05 4.54808e+05 -3.80376e+06 1.40136e+04 Potential Pressure (bar) -3.18435e+06 -6.08866e+03 Step Time 257 257.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01811e+03 6.10836e+03 1.98827e+04 2.78759e+02 -9.40654e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.44160e+03 1.17903e+05 4.54893e+05 -3.80421e+06 1.40023e+04 Potential Pressure (bar) -3.18462e+06 -6.09712e+03 Step Time 258 258.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.20873e+03 6.12997e+03 1.98841e+04 2.78640e+02 -9.41025e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.44385e+03 1.17889e+05 4.54964e+05 -3.80462e+06 1.39934e+04 Potential Pressure (bar) -3.18476e+06 -6.09348e+03 Step Time 259 259.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.34435e+03 6.17846e+03 1.98833e+04 2.78773e+02 -9.41304e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.43887e+03 1.17902e+05 4.55053e+05 -3.80506e+06 1.39819e+04 Potential Pressure (bar) -3.18494e+06 -6.10488e+03 Step Time 260 260.00000 Step Time 261 261.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.68735e+03 6.05865e+03 1.98839e+04 2.78410e+02 -9.41505e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.44012e+03 1.17892e+05 4.55081e+05 -3.80526e+06 1.39761e+04 Potential Pressure (bar) -3.18591e+06 -6.09680e+03 Step Time 262 262.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.73144e+03 6.20456e+03 1.98846e+04 2.78453e+02 -9.42976e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.43281e+03 1.17895e+05 4.55470e+05 -3.80726e+06 1.39284e+04 Potential Pressure (bar) -3.18637e+06 -6.11970e+03 Step Time 263 263.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.77495e+03 6.07071e+03 1.98854e+04 2.77832e+02 -9.43231e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.43429e+03 1.17883e+05 4.55494e+05 -3.80747e+06 1.39225e+04 Potential Pressure (bar) -3.18767e+06 -6.10787e+03 Step Time 264 264.00000 Step Time 265 265.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92716e+03 6.07980e+03 1.98852e+04 2.77769e+02 -9.43571e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.43146e+03 1.17888e+05 4.55595e+05 -3.80797e+06 1.39101e+04 Potential Pressure (bar) -3.18792e+06 -6.11521e+03 Step Time 266 266.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90944e+03 6.08815e+03 1.98860e+04 2.77646e+02 -9.43895e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.43240e+03 1.17878e+05 4.55660e+05 -3.80833e+06 1.39023e+04 Potential Pressure (bar) -3.18824e+06 -6.11192e+03 Step Time 267 267.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.14830e+03 6.11902e+03 1.98857e+04 2.77651e+02 -9.44194e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.42888e+03 1.17886e+05 4.55759e+05 -3.80880e+06 1.38905e+04 Potential Pressure (bar) -3.18835e+06 -6.12155e+03 Step Time 268 268.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.21310e+03 6.12342e+03 1.98868e+04 2.77551e+02 -9.44543e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.43079e+03 1.17872e+05 4.55824e+05 -3.80917e+06 1.38831e+04 Potential Pressure (bar) -3.18860e+06 -6.11647e+03 Step Time 269 269.00000 Step Time 270 270.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.69747e+03 6.05258e+03 1.98863e+04 2.77426e+02 -9.44684e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.42804e+03 1.17878e+05 4.55869e+05 -3.80940e+06 1.38759e+04 Potential Pressure (bar) -3.18937e+06 -6.11871e+03 Step Time 271 271.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.46647e+03 6.16686e+03 1.98885e+04 2.77380e+02 -9.45943e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.42599e+03 1.17864e+05 4.56190e+05 -3.81101e+06 1.38396e+04 Potential Pressure (bar) -3.18983e+06 -6.12625e+03 Step Time 272 272.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81011e+03 6.06314e+03 1.98873e+04 2.77094e+02 -9.46099e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.42226e+03 1.17874e+05 4.56245e+05 -3.81128e+06 1.38311e+04 Potential Pressure (bar) -3.19082e+06 -6.12945e+03 Step Time 273 273.00000 Step Time 274 274.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.83254e+03 6.07610e+03 1.98882e+04 2.77027e+02 -9.46425e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.42300e+03 1.17866e+05 4.56321e+05 -3.81166e+06 1.38226e+04 Potential Pressure (bar) -3.19110e+06 -6.12769e+03 Step Time 275 275.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92985e+03 6.08178e+03 1.98877e+04 2.76926e+02 -9.46698e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.41989e+03 1.17872e+05 4.56411e+05 -3.81209e+06 1.38122e+04 Potential Pressure (bar) -3.19134e+06 -6.13458e+03 Step Time 276 276.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00318e+03 6.09730e+03 1.98889e+04 2.76903e+02 -9.47033e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.42131e+03 1.17861e+05 4.56486e+05 -3.81247e+06 1.38043e+04 Potential Pressure (bar) -3.19158e+06 -6.13139e+03 Step Time 277 277.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.16342e+03 6.12529e+03 1.98882e+04 2.76858e+02 -9.47287e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.41743e+03 1.17870e+05 4.56579e+05 -3.81290e+06 1.37938e+04 Potential Pressure (bar) -3.19173e+06 -6.14061e+03 Step Time 278 278.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.37699e+03 6.13819e+03 1.98897e+04 2.76880e+02 -9.47642e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.41990e+03 1.17855e+05 4.56652e+05 -3.81327e+06 1.37866e+04 Potential Pressure (bar) -3.19182e+06 -6.13576e+03 Step Time 279 279.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.61160e+03 6.22885e+03 1.98889e+04 2.77078e+02 -9.47860e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.41491e+03 1.17869e+05 4.56750e+05 -3.81371e+06 1.37761e+04 Potential Pressure (bar) -3.19184e+06 -6.14835e+03 Step Time 280 280.00000 Step Time 281 281.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.69904e+03 6.05073e+03 1.98895e+04 2.76679e+02 -9.48061e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.41616e+03 1.17859e+05 4.56777e+05 -3.81389e+06 1.37705e+04 Potential Pressure (bar) -3.19310e+06 -6.13779e+03 Step Time 282 282.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 3.20749e+03 6.26337e+03 1.98904e+04 2.76889e+02 -9.49571e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.40894e+03 1.17862e+05 4.57260e+05 -3.81606e+06 1.37215e+04 Potential Pressure (bar) -3.19312e+06 -6.16336e+03 Step Time 283 283.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80754e+03 6.06651e+03 1.98911e+04 2.76180e+02 -9.49828e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.41005e+03 1.17849e+05 4.57280e+05 -3.81625e+06 1.37162e+04 Potential Pressure (bar) -3.19491e+06 -6.14794e+03 Step Time 284 284.00000 Step Time 285 285.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05873e+03 6.08701e+03 1.98910e+04 2.76105e+02 -9.50135e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.40745e+03 1.17854e+05 4.57392e+05 -3.81675e+06 1.37043e+04 Potential Pressure (bar) -3.19503e+06 -6.15561e+03 Step Time 286 286.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99202e+03 6.09021e+03 1.98917e+04 2.76039e+02 -9.50434e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.40837e+03 1.17843e+05 4.57457e+05 -3.81707e+06 1.36981e+04 Potential Pressure (bar) -3.19537e+06 -6.15118e+03 Step Time 287 287.00000 Step Time 288 288.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.71384e+03 6.04499e+03 1.98914e+04 2.75931e+02 -9.50567e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.40641e+03 1.17848e+05 4.57508e+05 -3.81731e+06 1.36916e+04 Potential Pressure (bar) -3.19588e+06 -6.15356e+03 Step Time 289 289.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.15984e+03 6.11598e+03 1.98928e+04 2.75877e+02 -9.51365e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.40523e+03 1.17837e+05 4.57740e+05 -3.81836e+06 1.36691e+04 Potential Pressure (bar) -3.19621e+06 -6.15670e+03 Step Time 290 290.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.79903e+03 6.05367e+03 1.98921e+04 2.75669e+02 -9.51514e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.40257e+03 1.17844e+05 4.57800e+05 -3.81862e+06 1.36618e+04 Potential Pressure (bar) -3.19685e+06 -6.16001e+03 Step Time 291 291.00000 Step Time 292 292.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.77057e+03 6.05891e+03 1.98928e+04 2.75642e+02 -9.51774e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.40280e+03 1.17838e+05 4.57870e+05 -3.81895e+06 1.36547e+04 Potential Pressure (bar) -3.19714e+06 -6.15836e+03 Step Time 293 293.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89429e+03 6.06631e+03 1.98926e+04 2.75508e+02 -9.52065e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.40038e+03 1.17842e+05 4.57974e+05 -3.81940e+06 1.36443e+04 Potential Pressure (bar) -3.19737e+06 -6.16410e+03 Step Time 294 294.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87249e+03 6.07343e+03 1.98934e+04 2.75506e+02 -9.52334e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.40104e+03 1.17834e+05 4.58046e+05 -3.81973e+06 1.36374e+04 Potential Pressure (bar) -3.19765e+06 -6.16127e+03 Step Time 295 295.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07376e+03 6.09566e+03 1.98931e+04 2.75400e+02 -9.52600e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.39819e+03 1.17840e+05 4.58149e+05 -3.82017e+06 1.36274e+04 Potential Pressure (bar) -3.19777e+06 -6.16879e+03 Step Time 296 296.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.10359e+03 6.10269e+03 1.98942e+04 2.75445e+02 -9.52891e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.39949e+03 1.17829e+05 4.58220e+05 -3.82050e+06 1.36209e+04 Potential Pressure (bar) -3.19801e+06 -6.16451e+03 Step Time 297 297.00000 Step Time 298 298.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.71045e+03 6.04189e+03 1.98937e+04 2.75271e+02 -9.53015e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.39738e+03 1.17834e+05 4.58268e+05 -3.82072e+06 1.36147e+04 Potential Pressure (bar) -3.19864e+06 -6.16624e+03 Step Time 299 299.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.29461e+03 6.13162e+03 1.98956e+04 2.75224e+02 -9.54024e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.39548e+03 1.17822e+05 4.58589e+05 -3.82210e+06 1.35854e+04 Potential Pressure (bar) -3.19907e+06 -6.17110e+03 Step Time 300 300.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.79790e+03 6.04991e+03 1.98947e+04 2.74954e+02 -9.54168e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.39262e+03 1.17830e+05 4.58647e+05 -3.82236e+06 1.35781e+04 Potential Pressure (bar) -3.19985e+06 -6.17364e+03 Step Time 301 301.00000 Step Time 302 302.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80932e+03 6.06153e+03 1.98955e+04 2.74952e+02 -9.54437e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.39297e+03 1.17823e+05 4.58727e+05 -3.82271e+06 1.35708e+04 Potential Pressure (bar) -3.20011e+06 -6.17203e+03 Step Time 303 303.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89417e+03 6.06345e+03 1.98952e+04 2.74804e+02 -9.54683e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.39054e+03 1.17828e+05 4.58822e+05 -3.82311e+06 1.35617e+04 Potential Pressure (bar) -3.20033e+06 -6.17740e+03 Step Time 304 304.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93879e+03 6.07908e+03 1.98961e+04 2.74852e+02 -9.54962e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.39138e+03 1.17819e+05 4.58901e+05 -3.82345e+06 1.35549e+04 Potential Pressure (bar) -3.20055e+06 -6.17460e+03 Step Time 305 305.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08205e+03 6.09529e+03 1.98957e+04 2.74717e+02 -9.55193e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.38841e+03 1.17826e+05 4.58997e+05 -3.82385e+06 1.35457e+04 Potential Pressure (bar) -3.20070e+06 -6.18184e+03 Step Time 306 306.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.22207e+03 6.11318e+03 1.98969e+04 2.74825e+02 -9.55478e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.39000e+03 1.17814e+05 4.59076e+05 -3.82419e+06 1.35395e+04 Potential Pressure (bar) -3.20082e+06 -6.17766e+03 Step Time 307 307.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.44586e+03 6.17044e+03 1.98963e+04 2.74782e+02 -9.55689e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.38627e+03 1.17824e+05 4.59175e+05 -3.82459e+06 1.35302e+04 Potential Pressure (bar) -3.20084e+06 -6.18769e+03 Step Time 308 308.00000 Step Time 309 309.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.70871e+03 6.04145e+03 1.98968e+04 2.74623e+02 -9.55850e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.38702e+03 1.17816e+05 4.59207e+05 -3.82475e+06 1.35256e+04 Potential Pressure (bar) -3.20185e+06 -6.17921e+03 Step Time 310 310.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.94337e+03 6.20295e+03 1.98981e+04 2.74439e+02 -9.57285e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.38057e+03 1.17816e+05 4.59751e+05 -3.82696e+06 1.34786e+04 Potential Pressure (bar) -3.20217e+06 -6.19931e+03 Step Time 311 311.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.79102e+03 6.05469e+03 1.98987e+04 2.74189e+02 -9.57490e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.38095e+03 1.17806e+05 4.59781e+05 -3.82714e+06 1.34739e+04 Potential Pressure (bar) -3.20363e+06 -6.18689e+03 Step Time 312 312.00000 Step Time 313 313.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01633e+03 6.07030e+03 1.98987e+04 2.74065e+02 -9.57770e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.37905e+03 1.17809e+05 4.59899e+05 -3.82761e+06 1.34634e+04 Potential Pressure (bar) -3.20376e+06 -6.19273e+03 Step Time 314 314.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93524e+03 6.07497e+03 1.98994e+04 2.74068e+02 -9.58009e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.37936e+03 1.17802e+05 4.59968e+05 -3.82790e+06 1.34579e+04 Potential Pressure (bar) -3.20407e+06 -6.18914e+03 Step Time 315 315.00000 Step Time 316 316.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.72727e+03 6.03689e+03 1.98992e+04 2.73946e+02 -9.58133e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.37797e+03 1.17804e+05 4.60022e+05 -3.82813e+06 1.34523e+04 Potential Pressure (bar) -3.20449e+06 -6.19085e+03 Step Time 317 317.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06895e+03 6.09540e+03 1.99004e+04 2.73927e+02 -9.58746e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.37673e+03 1.17796e+05 4.60241e+05 -3.82901e+06 1.34344e+04 Potential Pressure (bar) -3.20478e+06 -6.19271e+03 Step Time 318 318.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.79802e+03 6.04396e+03 1.99000e+04 2.73717e+02 -9.58884e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.37487e+03 1.17801e+05 4.60303e+05 -3.82926e+06 1.34279e+04 Potential Pressure (bar) -3.20530e+06 -6.19514e+03 Step Time 319 319.00000 Step Time 320 320.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.76460e+03 6.04863e+03 1.99005e+04 2.73729e+02 -9.59094e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.37479e+03 1.17796e+05 4.60375e+05 -3.82955e+06 1.34218e+04 Potential Pressure (bar) -3.20555e+06 -6.19372e+03 Step Time 321 321.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87809e+03 6.05390e+03 1.99005e+04 2.73576e+02 -9.59359e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.37295e+03 1.17798e+05 4.60484e+05 -3.82998e+06 1.34126e+04 Potential Pressure (bar) -3.20577e+06 -6.19808e+03 Step Time 322 322.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84405e+03 6.06096e+03 1.99012e+04 2.73626e+02 -9.59581e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.37312e+03 1.17792e+05 4.60558e+05 -3.83028e+06 1.34066e+04 Potential Pressure (bar) -3.20603e+06 -6.19574e+03 Step Time 323 323.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02919e+03 6.07665e+03 1.99011e+04 2.73469e+02 -9.59819e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.37108e+03 1.17796e+05 4.60664e+05 -3.83069e+06 1.33976e+04 Potential Pressure (bar) -3.20614e+06 -6.20152e+03 Step Time 324 324.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02546e+03 6.08626e+03 1.99020e+04 2.73577e+02 -9.60055e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.37160e+03 1.17788e+05 4.60738e+05 -3.83100e+06 1.33919e+04 Potential Pressure (bar) -3.20638e+06 -6.19808e+03 Step Time 325 325.00000 Step Time 326 326.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.72435e+03 6.03504e+03 1.99017e+04 2.73400e+02 -9.60170e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.37014e+03 1.17791e+05 4.60788e+05 -3.83120e+06 1.33866e+04 Potential Pressure (bar) -3.20688e+06 -6.19924e+03 Step Time 327 327.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.17844e+03 6.10915e+03 1.99033e+04 2.73406e+02 -9.60940e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.36834e+03 1.17782e+05 4.61085e+05 -3.83235e+06 1.33633e+04 Potential Pressure (bar) -3.20725e+06 -6.20225e+03 Step Time 328 328.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.79686e+03 6.04163e+03 1.99027e+04 2.73141e+02 -9.61075e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.36636e+03 1.17787e+05 4.61144e+05 -3.83258e+06 1.33570e+04 Potential Pressure (bar) -3.20788e+06 -6.20409e+03 Step Time 329 329.00000 Step Time 330 330.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.79595e+03 6.05151e+03 1.99033e+04 2.73175e+02 -9.61288e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.36635e+03 1.17782e+05 4.61225e+05 -3.83290e+06 1.33507e+04 Potential Pressure (bar) -3.20812e+06 -6.20269e+03 Step Time 331 331.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87843e+03 6.05220e+03 1.99032e+04 2.73013e+02 -9.61519e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.36456e+03 1.17785e+05 4.61322e+05 -3.83328e+06 1.33425e+04 Potential Pressure (bar) -3.20832e+06 -6.20676e+03 Step Time 332 332.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89733e+03 6.06656e+03 1.99040e+04 2.73099e+02 -9.61738e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.36483e+03 1.17778e+05 4.61403e+05 -3.83359e+06 1.33365e+04 Potential Pressure (bar) -3.20853e+06 -6.20445e+03 Step Time 333 333.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03722e+03 6.07686e+03 1.99038e+04 2.72923e+02 -9.61956e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.36277e+03 1.17782e+05 4.61501e+05 -3.83397e+06 1.33284e+04 Potential Pressure (bar) -3.20866e+06 -6.21002e+03 Step Time 334 334.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.12038e+03 6.09636e+03 1.99048e+04 2.73079e+02 -9.62176e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.36346e+03 1.17774e+05 4.61582e+05 -3.83428e+06 1.33227e+04 Potential Pressure (bar) -3.20881e+06 -6.20666e+03 Step Time 335 335.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.34679e+03 6.13392e+03 1.99044e+04 2.72920e+02 -9.62386e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.36099e+03 1.17780e+05 4.61682e+05 -3.83465e+06 1.33146e+04 Potential Pressure (bar) -3.20881e+06 -6.21443e+03 Step Time 336 336.00000 Step Time 337 337.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.71923e+03 6.03541e+03 1.99049e+04 2.72886e+02 -9.62509e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.36119e+03 1.17775e+05 4.61717e+05 -3.83480e+06 1.33105e+04 Potential Pressure (bar) -3.20967e+06 -6.20758e+03 Step Time 338 338.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.81664e+03 6.16770e+03 1.99068e+04 2.72530e+02 -9.63987e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.35516e+03 1.17770e+05 4.62363e+05 -3.83720e+06 1.32613e+04 Potential Pressure (bar) -3.21025e+06 -6.22388e+03 Step Time 339 339.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.78502e+03 6.04704e+03 1.99071e+04 2.72478e+02 -9.64143e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.35469e+03 1.17764e+05 4.62398e+05 -3.83737e+06 1.32569e+04 Potential Pressure (bar) -3.21155e+06 -6.21375e+03 Step Time 340 340.00000 Step Time 341 341.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00923e+03 6.06163e+03 1.99073e+04 2.72322e+02 -9.64419e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.35362e+03 1.17764e+05 4.62524e+05 -3.83783e+06 1.32472e+04 Potential Pressure (bar) -3.21166e+06 -6.21800e+03 Step Time 342 342.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90727e+03 6.06616e+03 1.99078e+04 2.72386e+02 -9.64597e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.35316e+03 1.17760e+05 4.62592e+05 -3.83811e+06 1.32424e+04 Potential Pressure (bar) -3.21197e+06 -6.21532e+03 Step Time 343 343.00000 Step Time 344 344.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.74295e+03 6.03201e+03 1.99078e+04 2.72246e+02 -9.64720e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.35239e+03 1.17761e+05 4.62647e+05 -3.83831e+06 1.32372e+04 Potential Pressure (bar) -3.21232e+06 -6.21628e+03 Step Time 345 345.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02218e+03 6.08400e+03 1.99087e+04 2.72275e+02 -9.65179e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.35099e+03 1.17755e+05 4.62846e+05 -3.83905e+06 1.32231e+04 Potential Pressure (bar) -3.21255e+06 -6.21763e+03 Step Time 346 346.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80773e+03 6.03853e+03 1.99085e+04 2.72061e+02 -9.65320e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.34999e+03 1.17757e+05 4.62909e+05 -3.83927e+06 1.32174e+04 Potential Pressure (bar) -3.21298e+06 -6.21897e+03 Step Time 347 347.00000 Step Time 348 348.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.76580e+03 6.04214e+03 1.99089e+04 2.72099e+02 -9.65482e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.34955e+03 1.17754e+05 4.62979e+05 -3.83954e+06 1.32122e+04 Potential Pressure (bar) -3.21322e+06 -6.21788e+03 Step Time 349 349.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88195e+03 6.04730e+03 1.99091e+04 2.71939e+02 -9.65736e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.34837e+03 1.17754e+05 4.63095e+05 -3.83995e+06 1.32035e+04 Potential Pressure (bar) -3.21341e+06 -6.22106e+03 Step Time 350 350.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.83282e+03 6.05348e+03 1.99096e+04 2.72019e+02 -9.65904e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.34795e+03 1.17750e+05 4.63167e+05 -3.84023e+06 1.31982e+04 Potential Pressure (bar) -3.21366e+06 -6.21932e+03 Step Time 351 351.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02244e+03 6.06684e+03 1.99096e+04 2.71842e+02 -9.66143e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.34684e+03 1.17752e+05 4.63276e+05 -3.84062e+06 1.31901e+04 Potential Pressure (bar) -3.21375e+06 -6.22354e+03 Step Time 352 352.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98815e+03 6.07758e+03 1.99102e+04 2.71998e+02 -9.66310e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.34646e+03 1.17747e+05 4.63352e+05 -3.84090e+06 1.31849e+04 Potential Pressure (bar) -3.21399e+06 -6.22109e+03 Step Time 353 353.00000 Step Time 354 354.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.73968e+03 6.03090e+03 1.99101e+04 2.71812e+02 -9.66432e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.34570e+03 1.17748e+05 4.63402e+05 -3.84108e+06 1.31802e+04 Potential Pressure (bar) -3.21442e+06 -6.22152e+03 Step Time 355 355.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.12075e+03 6.09754e+03 1.99113e+04 2.71870e+02 -9.66994e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.34385e+03 1.17741e+05 4.63664e+05 -3.84203e+06 1.31619e+04 Potential Pressure (bar) -3.21469e+06 -6.22375e+03 Step Time 356 356.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80632e+03 6.03708e+03 1.99110e+04 2.71606e+02 -9.67141e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.34286e+03 1.17744e+05 4.63723e+05 -3.84224e+06 1.31565e+04 Potential Pressure (bar) -3.21522e+06 -6.22451e+03 Step Time 357 357.00000 Step Time 358 358.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.79317e+03 6.04533e+03 1.99114e+04 2.71664e+02 -9.67306e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.34243e+03 1.17740e+05 4.63801e+05 -3.84253e+06 1.31508e+04 Potential Pressure (bar) -3.21544e+06 -6.22349e+03 Step Time 359 359.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88265e+03 6.04633e+03 1.99114e+04 2.71499e+02 -9.67531e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.34136e+03 1.17741e+05 4.63903e+05 -3.84289e+06 1.31434e+04 Potential Pressure (bar) -3.21561e+06 -6.22643e+03 Step Time 360 360.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87953e+03 6.05939e+03 1.99120e+04 2.71610e+02 -9.67696e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.34098e+03 1.17737e+05 4.63982e+05 -3.84318e+06 1.31379e+04 Potential Pressure (bar) -3.21582e+06 -6.22479e+03 Step Time 361 361.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03112e+03 6.06741e+03 1.99119e+04 2.71415e+02 -9.67922e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.33993e+03 1.17738e+05 4.64082e+05 -3.84353e+06 1.31306e+04 Potential Pressure (bar) -3.21592e+06 -6.22877e+03 Step Time 362 362.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07169e+03 6.08826e+03 1.99126e+04 2.71609e+02 -9.68074e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.33962e+03 1.17733e+05 4.64162e+05 -3.84382e+06 1.31253e+04 Potential Pressure (bar) -3.21609e+06 -6.22651e+03 Step Time 363 363.00000 Step Time 364 364.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.73775e+03 6.02975e+03 1.99123e+04 2.71398e+02 -9.68195e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.33883e+03 1.17735e+05 4.64209e+05 -3.84399e+06 1.31207e+04 Potential Pressure (bar) -3.21660e+06 -6.22650e+03 Step Time 365 365.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.21875e+03 6.11041e+03 1.99137e+04 2.71456e+02 -9.68936e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.33638e+03 1.17726e+05 4.64569e+05 -3.84526e+06 1.30962e+04 Potential Pressure (bar) -3.21699e+06 -6.22955e+03 Step Time 366 366.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80397e+03 6.03513e+03 1.99132e+04 2.71142e+02 -9.69085e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.33528e+03 1.17729e+05 4.64625e+05 -3.84546e+06 1.30909e+04 Potential Pressure (bar) -3.21763e+06 -6.22988e+03 Step Time 367 367.00000 Step Time 368 368.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.82367e+03 6.04875e+03 1.99137e+04 2.71221e+02 -9.69255e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.33495e+03 1.17725e+05 4.64712e+05 -3.84577e+06 1.30850e+04 Potential Pressure (bar) -3.21782e+06 -6.22880e+03 Step Time 369 369.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87994e+03 6.04470e+03 1.99136e+04 2.71037e+02 -9.69463e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.33390e+03 1.17726e+05 4.64804e+05 -3.84609e+06 1.30783e+04 Potential Pressure (bar) -3.21801e+06 -6.23158e+03 Step Time 370 370.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92926e+03 6.06516e+03 1.99141e+04 2.71177e+02 -9.69620e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.33365e+03 1.17722e+05 4.64890e+05 -3.84640e+06 1.30727e+04 Potential Pressure (bar) -3.21817e+06 -6.22993e+03 Step Time 371 371.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03205e+03 6.06691e+03 1.99139e+04 2.70961e+02 -9.69837e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.33253e+03 1.17724e+05 4.64983e+05 -3.84672e+06 1.30659e+04 Potential Pressure (bar) -3.21830e+06 -6.23385e+03 Step Time 372 372.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.15658e+03 6.09783e+03 1.99146e+04 2.71197e+02 -9.69981e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.33245e+03 1.17717e+05 4.65068e+05 -3.84702e+06 1.30607e+04 Potential Pressure (bar) -3.21837e+06 -6.23162e+03 Step Time 373 373.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.33515e+03 6.11814e+03 1.99142e+04 2.70947e+02 -9.70206e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.33124e+03 1.17721e+05 4.65163e+05 -3.84734e+06 1.30541e+04 Potential Pressure (bar) -3.21840e+06 -6.23722e+03 Step Time 374 374.00000 Step Time 375 375.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.73974e+03 6.03192e+03 1.99145e+04 2.70984e+02 -9.70280e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.33089e+03 1.17718e+05 4.65201e+05 -3.84749e+06 1.30502e+04 Potential Pressure (bar) -3.21920e+06 -6.23131e+03 Step Time 376 376.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.79226e+03 6.16357e+03 1.99151e+04 2.70735e+02 -9.71334e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.32763e+03 1.17713e+05 4.65716e+05 -3.84923e+06 1.30163e+04 Potential Pressure (bar) -3.21929e+06 -6.24300e+03 Step Time 377 377.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.82039e+03 6.04643e+03 1.99152e+04 2.70779e+02 -9.71406e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.32646e+03 1.17709e+05 4.65754e+05 -3.84940e+06 1.30119e+04 Potential Pressure (bar) -3.22052e+06 -6.23433e+03 Step Time 378 378.00000 Step Time 379 379.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00905e+03 6.05652e+03 1.99152e+04 2.70603e+02 -9.71653e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.32622e+03 1.17708e+05 4.65868e+05 -3.84978e+06 1.30041e+04 Potential Pressure (bar) -3.22060e+06 -6.23719e+03 Step Time 380 380.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95314e+03 6.06856e+03 1.99154e+04 2.70730e+02 -9.71771e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.32517e+03 1.17705e+05 4.65941e+05 -3.85005e+06 1.29994e+04 Potential Pressure (bar) -3.22084e+06 -6.23551e+03 Step Time 381 381.00000 Step Time 382 382.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.75382e+03 6.02793e+03 1.99153e+04 2.70550e+02 -9.71897e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.32496e+03 1.17705e+05 4.65993e+05 -3.85022e+06 1.29951e+04 Potential Pressure (bar) -3.22121e+06 -6.23542e+03 Step Time 383 383.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07199e+03 6.08712e+03 1.99156e+04 2.70619e+02 -9.72335e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.32316e+03 1.17700e+05 4.66226e+05 -3.85102e+06 1.29803e+04 Potential Pressure (bar) -3.22141e+06 -6.23719e+03 Step Time 384 384.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81486e+03 6.03348e+03 1.99153e+04 2.70359e+02 -9.72483e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.32289e+03 1.17701e+05 4.66286e+05 -3.85122e+06 1.29753e+04 Potential Pressure (bar) -3.22187e+06 -6.23722e+03 Step Time 385 385.00000 Step Time 386 386.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.79328e+03 6.04034e+03 1.99154e+04 2.70424e+02 -9.72615e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.32221e+03 1.17699e+05 4.66360e+05 -3.85148e+06 1.29704e+04 Potential Pressure (bar) -3.22208e+06 -6.23651e+03 Step Time 387 387.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88614e+03 6.04167e+03 1.99153e+04 2.70257e+02 -9.72841e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.32171e+03 1.17698e+05 4.66466e+05 -3.85183e+06 1.29633e+04 Potential Pressure (bar) -3.22224e+06 -6.23851e+03 Step Time 388 388.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86715e+03 6.05309e+03 1.99155e+04 2.70373e+02 -9.72966e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.32091e+03 1.17696e+05 4.66542e+05 -3.85210e+06 1.29584e+04 Potential Pressure (bar) -3.22245e+06 -6.23744e+03 Step Time 389 389.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02484e+03 6.05996e+03 1.99153e+04 2.70171e+02 -9.73192e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.32062e+03 1.17695e+05 4.66645e+05 -3.85243e+06 1.29517e+04 Potential Pressure (bar) -3.22252e+06 -6.24021e+03 Step Time 390 390.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03346e+03 6.08025e+03 1.99155e+04 2.70378e+02 -9.73304e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.31964e+03 1.17692e+05 4.66723e+05 -3.85271e+06 1.29467e+04 Potential Pressure (bar) -3.22270e+06 -6.23877e+03 Step Time 391 391.00000 Step Time 392 392.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.75199e+03 6.02688e+03 1.99153e+04 2.70163e+02 -9.73430e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.31942e+03 1.17693e+05 4.66770e+05 -3.85286e+06 1.29427e+04 Potential Pressure (bar) -3.22315e+06 -6.23822e+03 Step Time 393 393.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.16409e+03 6.09946e+03 1.99154e+04 2.70243e+02 -9.73984e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.31722e+03 1.17686e+05 4.67080e+05 -3.85390e+06 1.29233e+04 Potential Pressure (bar) -3.22342e+06 -6.24068e+03 Step Time 394 394.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81336e+03 6.03181e+03 1.99150e+04 2.69940e+02 -9.74143e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.31692e+03 1.17687e+05 4.67136e+05 -3.85409e+06 1.29185e+04 Potential Pressure (bar) -3.22398e+06 -6.24022e+03 Step Time 395 395.00000 Step Time 396 396.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.82031e+03 6.04331e+03 1.99151e+04 2.70017e+02 -9.74276e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.31627e+03 1.17685e+05 4.67219e+05 -3.85437e+06 1.29132e+04 Potential Pressure (bar) -3.22416e+06 -6.23949e+03 Step Time 397 397.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88517e+03 6.04025e+03 1.99149e+04 2.69840e+02 -9.74487e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.31582e+03 1.17685e+05 4.67313e+05 -3.85468e+06 1.29072e+04 Potential Pressure (bar) -3.22432e+06 -6.24140e+03 Step Time 398 398.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91160e+03 6.05854e+03 1.99151e+04 2.69978e+02 -9.74600e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.31507e+03 1.17682e+05 4.67396e+05 -3.85496e+06 1.29020e+04 Potential Pressure (bar) -3.22449e+06 -6.24033e+03 Step Time 399 399.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02849e+03 6.05956e+03 1.99148e+04 2.69759e+02 -9.74824e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.31478e+03 1.17682e+05 4.67490e+05 -3.85526e+06 1.28959e+04 Potential Pressure (bar) -3.22458e+06 -6.24301e+03 Step Time 400 400.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.11012e+03 6.08998e+03 1.99150e+04 2.70004e+02 -9.74917e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.31388e+03 1.17678e+05 4.67573e+05 -3.85555e+06 1.28911e+04 Potential Pressure (bar) -3.22468e+06 -6.24167e+03 Step Time 401 401.00000 Step Time 402 402.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.75130e+03 6.02574e+03 1.99147e+04 2.69764e+02 -9.75048e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.31359e+03 1.17679e+05 4.67618e+05 -3.85570e+06 1.28871e+04 Potential Pressure (bar) -3.22521e+06 -6.24079e+03 Step Time 403 403.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.24304e+03 6.10895e+03 1.99149e+04 2.69804e+02 -9.75822e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.31068e+03 1.17671e+05 4.68058e+05 -3.85715e+06 1.28601e+04 Potential Pressure (bar) -3.22568e+06 -6.24365e+03 Step Time 404 404.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81116e+03 6.02967e+03 1.99143e+04 2.69470e+02 -9.75990e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.31019e+03 1.17673e+05 4.68112e+05 -3.85733e+06 1.28556e+04 Potential Pressure (bar) -3.22633e+06 -6.24301e+03 Step Time 405 405.00000 Step Time 406 406.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84697e+03 6.04580e+03 1.99145e+04 2.69557e+02 -9.76118e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30965e+03 1.17670e+05 4.68203e+05 -3.85763e+06 1.28500e+04 Potential Pressure (bar) -3.22650e+06 -6.24210e+03 Step Time 407 407.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88035e+03 6.03815e+03 1.99142e+04 2.69367e+02 -9.76316e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30908e+03 1.17670e+05 4.68289e+05 -3.85790e+06 1.28446e+04 Potential Pressure (bar) -3.22666e+06 -6.24404e+03 Step Time 408 408.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95292e+03 6.06280e+03 1.99144e+04 2.69524e+02 -9.76431e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30848e+03 1.17666e+05 4.68378e+05 -3.85820e+06 1.28394e+04 Potential Pressure (bar) -3.22678e+06 -6.24281e+03 Step Time 409 409.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02231e+03 6.05796e+03 1.99141e+04 2.69287e+02 -9.76646e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30798e+03 1.17668e+05 4.68467e+05 -3.85848e+06 1.28338e+04 Potential Pressure (bar) -3.22692e+06 -6.24560e+03 Step Time 410 410.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.17686e+03 6.09662e+03 1.99145e+04 2.69554e+02 -9.76734e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30734e+03 1.17663e+05 4.68554e+05 -3.85877e+06 1.28290e+04 Potential Pressure (bar) -3.22694e+06 -6.24404e+03 Step Time 411 411.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.31006e+03 6.10355e+03 1.99140e+04 2.69257e+02 -9.76973e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30696e+03 1.17665e+05 4.68645e+05 -3.85905e+06 1.28234e+04 Potential Pressure (bar) -3.22699e+06 -6.24817e+03 Step Time 412 412.00000 Step Time 413 413.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.75936e+03 6.02867e+03 1.99142e+04 2.69326e+02 -9.77009e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30621e+03 1.17662e+05 4.68684e+05 -3.85919e+06 1.28197e+04 Potential Pressure (bar) -3.22773e+06 -6.24294e+03 Step Time 414 414.00000 Step Time 415 415.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95221e+03 6.04457e+03 1.99140e+04 2.69149e+02 -9.77424e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30508e+03 1.17661e+05 4.68897e+05 -3.85988e+06 1.28067e+04 Potential Pressure (bar) -3.22801e+06 -6.24562e+03 Step Time 416 416.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.78953e+03 6.03429e+03 1.99140e+04 2.69213e+02 -9.77489e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30420e+03 1.17659e+05 4.68952e+05 -3.86007e+06 1.28033e+04 Potential Pressure (bar) -3.22832e+06 -6.24365e+03 Step Time 417 417.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.10241e+03 6.06452e+03 1.99139e+04 2.69030e+02 -9.77810e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30388e+03 1.17658e+05 4.69111e+05 -3.86056e+06 1.27941e+04 Potential Pressure (bar) -3.22832e+06 -6.24696e+03 Step Time 418 418.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88133e+03 6.05081e+03 1.99140e+04 2.69158e+02 -9.77865e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30260e+03 1.17656e+05 4.69171e+05 -3.86077e+06 1.27902e+04 Potential Pressure (bar) -3.22872e+06 -6.24438e+03 Step Time 419 419.00000 Step Time 420 420.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80037e+03 6.02720e+03 1.99139e+04 2.68994e+02 -9.78017e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30255e+03 1.17655e+05 4.69235e+05 -3.86097e+06 1.27859e+04 Potential Pressure (bar) -3.22896e+06 -6.24469e+03 Step Time 421 421.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97650e+03 6.06647e+03 1.99140e+04 2.69100e+02 -9.78198e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30120e+03 1.17653e+05 4.69364e+05 -3.86139e+06 1.27787e+04 Potential Pressure (bar) -3.22905e+06 -6.24513e+03 Step Time 422 422.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88301e+03 6.03656e+03 1.99138e+04 2.68876e+02 -9.78378e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30128e+03 1.17653e+05 4.69435e+05 -3.86161e+06 1.27740e+04 Potential Pressure (bar) -3.22933e+06 -6.24565e+03 Step Time 423 423.00000 Step Time 424 424.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.77360e+03 6.03022e+03 1.99139e+04 2.68935e+02 -9.78447e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.30045e+03 1.17651e+05 4.69489e+05 -3.86179e+06 1.27706e+04 Potential Pressure (bar) -3.22957e+06 -6.24442e+03 Step Time 425 425.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97804e+03 6.04785e+03 1.99138e+04 2.68757e+02 -9.78777e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29987e+03 1.17650e+05 4.69658e+05 -3.86233e+06 1.27608e+04 Potential Pressure (bar) -3.22973e+06 -6.24666e+03 Step Time 426 426.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.82374e+03 6.03975e+03 1.99138e+04 2.68855e+02 -9.78834e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29872e+03 1.17648e+05 4.69717e+05 -3.86252e+06 1.27570e+04 Potential Pressure (bar) -3.23003e+06 -6.24493e+03 Step Time 427 427.00000 Step Time 428 428.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.78933e+03 6.02547e+03 1.99138e+04 2.68718e+02 -9.78984e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29864e+03 1.17648e+05 4.69784e+05 -3.86273e+06 1.27529e+04 Potential Pressure (bar) -3.23023e+06 -6.24525e+03 Step Time 429 429.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87760e+03 6.04907e+03 1.99138e+04 2.68784e+02 -9.79155e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29735e+03 1.17646e+05 4.69902e+05 -3.86311e+06 1.27463e+04 Potential Pressure (bar) -3.23039e+06 -6.24539e+03 Step Time 430 430.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84319e+03 6.03102e+03 1.99137e+04 2.68606e+02 -9.79329e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29741e+03 1.17645e+05 4.69975e+05 -3.86334e+06 1.27417e+04 Potential Pressure (bar) -3.23060e+06 -6.24589e+03 Step Time 431 431.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98500e+03 6.06734e+03 1.99138e+04 2.68751e+02 -9.79448e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29603e+03 1.17643e+05 4.70080e+05 -3.86368e+06 1.27361e+04 Potential Pressure (bar) -3.23067e+06 -6.24610e+03 Step Time 432 432.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95940e+03 6.04543e+03 1.99137e+04 2.68516e+02 -9.79654e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29632e+03 1.17642e+05 4.70158e+05 -3.86392e+06 1.27313e+04 Potential Pressure (bar) -3.23088e+06 -6.24687e+03 Step Time 433 433.00000 Step Time 434 434.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.76918e+03 6.02813e+03 1.99137e+04 2.68577e+02 -9.79699e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29534e+03 1.17641e+05 4.70205e+05 -3.86407e+06 1.27280e+04 Potential Pressure (bar) -3.23120e+06 -6.24519e+03 Step Time 435 435.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.10111e+03 6.06257e+03 1.99137e+04 2.68374e+02 -9.80164e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29451e+03 1.17638e+05 4.70449e+05 -3.86482e+06 1.27146e+04 Potential Pressure (bar) -3.23136e+06 -6.24803e+03 Step Time 436 436.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81982e+03 6.03814e+03 1.99137e+04 2.68473e+02 -9.80202e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29304e+03 1.17638e+05 4.70501e+05 -3.86500e+06 1.27110e+04 Potential Pressure (bar) -3.23180e+06 -6.24571e+03 Step Time 437 437.00000 Step Time 438 438.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81857e+03 6.02772e+03 1.99137e+04 2.68335e+02 -9.80376e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29310e+03 1.17636e+05 4.70579e+05 -3.86524e+06 1.27063e+04 Potential Pressure (bar) -3.23198e+06 -6.24601e+03 Step Time 439 439.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87836e+03 6.04863e+03 1.99138e+04 2.68418e+02 -9.80490e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29171e+03 1.17635e+05 4.70676e+05 -3.86555e+06 1.27011e+04 Potential Pressure (bar) -3.23212e+06 -6.24612e+03 Step Time 440 440.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88884e+03 6.03566e+03 1.99137e+04 2.68241e+02 -9.80686e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29202e+03 1.17634e+05 4.70757e+05 -3.86579e+06 1.26963e+04 Potential Pressure (bar) -3.23228e+06 -6.24657e+03 Step Time 441 441.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99279e+03 6.06877e+03 1.99138e+04 2.68402e+02 -9.80776e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29037e+03 1.17633e+05 4.70850e+05 -3.86609e+06 1.26914e+04 Potential Pressure (bar) -3.23236e+06 -6.24684e+03 Step Time 442 442.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03926e+03 6.05456e+03 1.99138e+04 2.68164e+02 -9.80998e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.29107e+03 1.17631e+05 4.70934e+05 -3.86634e+06 1.26865e+04 Potential Pressure (bar) -3.23250e+06 -6.24755e+03 Step Time 443 443.00000 Step Time 444 444.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.76672e+03 6.02647e+03 1.99137e+04 2.68220e+02 -9.81033e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.28984e+03 1.17631e+05 4.70976e+05 -3.86649e+06 1.26835e+04 Potential Pressure (bar) -3.23291e+06 -6.24564e+03 Step Time 445 445.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.13736e+03 6.06560e+03 1.99138e+04 2.67989e+02 -9.81668e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.28861e+03 1.17625e+05 4.71317e+05 -3.86752e+06 1.26650e+04 Potential Pressure (bar) -3.23322e+06 -6.24816e+03 Step Time 446 446.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80975e+03 6.03512e+03 1.99137e+04 2.68067e+02 -9.81693e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.28680e+03 1.17626e+05 4.71365e+05 -3.86769e+06 1.26615e+04 Potential Pressure (bar) -3.23371e+06 -6.24611e+03 Step Time 447 447.00000 Step Time 448 448.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.83636e+03 6.02904e+03 1.99138e+04 2.67939e+02 -9.81885e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.28706e+03 1.17624e+05 4.71454e+05 -3.86796e+06 1.26565e+04 Potential Pressure (bar) -3.23387e+06 -6.24611e+03 Step Time 449 449.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86077e+03 6.04477e+03 1.99138e+04 2.68012e+02 -9.81978e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.28548e+03 1.17624e+05 4.71539e+05 -3.86823e+06 1.26518e+04 Potential Pressure (bar) -3.23402e+06 -6.24640e+03 Step Time 450 450.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91211e+03 6.03768e+03 1.99138e+04 2.67848e+02 -9.82185e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.28610e+03 1.17621e+05 4.71628e+05 -3.86849e+06 1.26470e+04 Potential Pressure (bar) -3.23416e+06 -6.24646e+03 Step Time 451 451.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96349e+03 6.06384e+03 1.99138e+04 2.67993e+02 -9.82262e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.28410e+03 1.17622e+05 4.71712e+05 -3.86877e+06 1.26425e+04 Potential Pressure (bar) -3.23428e+06 -6.24701e+03 Step Time 452 452.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06953e+03 6.05675e+03 1.99139e+04 2.67780e+02 -9.82496e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.28528e+03 1.17618e+05 4.71802e+05 -3.86902e+06 1.26377e+04 Potential Pressure (bar) -3.23435e+06 -6.24723e+03 Step Time 453 453.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.16952e+03 6.10237e+03 1.99139e+04 2.68051e+02 -9.82532e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.28268e+03 1.17619e+05 4.71885e+05 -3.86929e+06 1.26334e+04 Potential Pressure (bar) -3.23440e+06 -6.24830e+03 Step Time 454 454.00000 Step Time 455 455.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.77122e+03 6.02353e+03 1.99138e+04 2.67774e+02 -9.82680e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.28339e+03 1.17617e+05 4.71928e+05 -3.86942e+06 1.26299e+04 Potential Pressure (bar) -3.23496e+06 -6.24552e+03 Step Time 456 456.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.45086e+03 6.14042e+03 1.99141e+04 2.67887e+02 -9.83449e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27891e+03 1.17612e+05 4.72426e+05 -3.87093e+06 1.26041e+04 Potential Pressure (bar) -3.23522e+06 -6.24974e+03 Step Time 457 457.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.83005e+03 6.02784e+03 1.99139e+04 2.67478e+02 -9.83649e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27979e+03 1.17610e+05 4.72475e+05 -3.87108e+06 1.26001e+04 Potential Pressure (bar) -3.23606e+06 -6.24584e+03 Step Time 458 458.00000 Step Time 459 459.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93509e+03 6.05595e+03 1.99139e+04 2.67596e+02 -9.83755e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27831e+03 1.17609e+05 4.72580e+05 -3.87140e+06 1.25945e+04 Potential Pressure (bar) -3.23615e+06 -6.24609e+03 Step Time 460 460.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91736e+03 6.03810e+03 1.99139e+04 2.67395e+02 -9.83969e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27887e+03 1.17607e+05 4.72657e+05 -3.87162e+06 1.25904e+04 Potential Pressure (bar) -3.23634e+06 -6.24614e+03 Step Time 461 461.00000 Step Time 462 462.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.77688e+03 6.02668e+03 1.99139e+04 2.67449e+02 -9.84004e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27780e+03 1.17607e+05 4.72704e+05 -3.87177e+06 1.25874e+04 Potential Pressure (bar) -3.23659e+06 -6.24506e+03 Step Time 463 463.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98959e+03 6.04651e+03 1.99139e+04 2.67266e+02 -9.84464e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27720e+03 1.17603e+05 4.72939e+05 -3.87247e+06 1.25753e+04 Potential Pressure (bar) -3.23684e+06 -6.24627e+03 Step Time 464 464.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81083e+03 6.03377e+03 1.99139e+04 2.67340e+02 -9.84492e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27568e+03 1.17603e+05 4.72993e+05 -3.87264e+06 1.25720e+04 Potential Pressure (bar) -3.23716e+06 -6.24498e+03 Step Time 465 465.00000 Step Time 466 466.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80839e+03 6.02541e+03 1.99139e+04 2.67232e+02 -9.84667e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27585e+03 1.17601e+05 4.73070e+05 -3.87286e+06 1.25678e+04 Potential Pressure (bar) -3.23732e+06 -6.24487e+03 Step Time 467 467.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85013e+03 6.04113e+03 1.99139e+04 2.67284e+02 -9.84784e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27442e+03 1.17601e+05 4.73167e+05 -3.87316e+06 1.25626e+04 Potential Pressure (bar) -3.23747e+06 -6.24499e+03 Step Time 468 468.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85416e+03 6.03018e+03 1.99139e+04 2.67141e+02 -9.84978e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27487e+03 1.17599e+05 4.73246e+05 -3.87339e+06 1.25585e+04 Potential Pressure (bar) -3.23763e+06 -6.24489e+03 Step Time 469 469.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92657e+03 6.05519e+03 1.99139e+04 2.67251e+02 -9.85072e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27314e+03 1.17598e+05 4.73339e+05 -3.87368e+06 1.25538e+04 Potential Pressure (bar) -3.23774e+06 -6.24522e+03 Step Time 470 470.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95222e+03 6.04167e+03 1.99139e+04 2.67065e+02 -9.85295e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27402e+03 1.17596e+05 4.73422e+05 -3.87391e+06 1.25494e+04 Potential Pressure (bar) -3.23788e+06 -6.24517e+03 Step Time 471 471.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07705e+03 6.08265e+03 1.99140e+04 2.67269e+02 -9.85347e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27184e+03 1.17596e+05 4.73512e+05 -3.87419e+06 1.25450e+04 Potential Pressure (bar) -3.23791e+06 -6.24592e+03 Step Time 472 472.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.16189e+03 6.06786e+03 1.99140e+04 2.67016e+02 -9.85616e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27335e+03 1.17593e+05 4.73598e+05 -3.87442e+06 1.25406e+04 Potential Pressure (bar) -3.23799e+06 -6.24611e+03 Step Time 473 473.00000 Step Time 474 474.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.77922e+03 6.02674e+03 1.99140e+04 2.67067e+02 -9.85624e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27164e+03 1.17593e+05 4.73638e+05 -3.87456e+06 1.25376e+04 Potential Pressure (bar) -3.23852e+06 -6.24379e+03 Step Time 475 475.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.29302e+03 6.08342e+03 1.99142e+04 2.66869e+02 -9.86364e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.27095e+03 1.17586e+05 4.74018e+05 -3.87566e+06 1.25188e+04 Potential Pressure (bar) -3.23869e+06 -6.24599e+03 Step Time 476 476.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.83524e+03 6.03775e+03 1.99139e+04 2.66939e+02 -9.86358e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26846e+03 1.17588e+05 4.74064e+05 -3.87582e+06 1.25153e+04 Potential Pressure (bar) -3.23932e+06 -6.24374e+03 Step Time 477 477.00000 Step Time 478 478.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87856e+03 6.03257e+03 1.99141e+04 2.66802e+02 -9.86569e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26923e+03 1.17585e+05 4.74156e+05 -3.87607e+06 1.25106e+04 Potential Pressure (bar) -3.23945e+06 -6.24321e+03 Step Time 479 479.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90130e+03 6.05062e+03 1.99139e+04 2.66897e+02 -9.86646e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26721e+03 1.17586e+05 4.74237e+05 -3.87633e+06 1.25066e+04 Potential Pressure (bar) -3.23958e+06 -6.24389e+03 Step Time 480 480.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98370e+03 6.04469e+03 1.99141e+04 2.66726e+02 -9.86887e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26852e+03 1.17582e+05 4.74328e+05 -3.87657e+06 1.25020e+04 Potential Pressure (bar) -3.23967e+06 -6.24330e+03 Step Time 481 481.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03544e+03 6.07663e+03 1.99139e+04 2.66908e+02 -9.86929e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26587e+03 1.17584e+05 4.74410e+05 -3.87683e+06 1.24979e+04 Potential Pressure (bar) -3.23976e+06 -6.24447e+03 Step Time 482 482.00000 Step Time 483 483.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.78099e+03 6.02330e+03 1.99140e+04 2.66712e+02 -9.87076e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26675e+03 1.17581e+05 4.74454e+05 -3.87695e+06 1.24949e+04 Potential Pressure (bar) -3.24016e+06 -6.24216e+03 Step Time 484 484.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.19636e+03 6.09903e+03 1.99140e+04 2.66726e+02 -9.87757e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26276e+03 1.17578e+05 4.74889e+05 -3.87822e+06 1.24736e+04 Potential Pressure (bar) -3.24053e+06 -6.24454e+03 Step Time 485 485.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.82009e+03 6.02588e+03 1.99140e+04 2.66456e+02 -9.87959e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26399e+03 1.17575e+05 4.74939e+05 -3.87836e+06 1.24702e+04 Potential Pressure (bar) -3.24107e+06 -6.24138e+03 Step Time 486 486.00000 Step Time 487 487.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87664e+03 6.04397e+03 1.99139e+04 2.66530e+02 -9.88072e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26241e+03 1.17575e+05 4.75039e+05 -3.87865e+06 1.24652e+04 Potential Pressure (bar) -3.24120e+06 -6.24172e+03 Step Time 488 488.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87500e+03 6.03176e+03 1.99140e+04 2.66382e+02 -9.88288e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26319e+03 1.17572e+05 4.75117e+05 -3.87887e+06 1.24613e+04 Potential Pressure (bar) -3.24135e+06 -6.24109e+03 Step Time 489 489.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96878e+03 6.06134e+03 1.99139e+04 2.66512e+02 -9.88362e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26117e+03 1.17572e+05 4.75211e+05 -3.87915e+06 1.24567e+04 Potential Pressure (bar) -3.24142e+06 -6.24188e+03 Step Time 490 490.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99336e+03 6.04560e+03 1.99140e+04 2.66319e+02 -9.88618e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26253e+03 1.17569e+05 4.75294e+05 -3.87936e+06 1.24528e+04 Potential Pressure (bar) -3.24156e+06 -6.24125e+03 Step Time 491 491.00000 Step Time 492 492.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.78589e+03 6.02627e+03 1.99139e+04 2.66361e+02 -9.88639e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26102e+03 1.17570e+05 4.75337e+05 -3.87951e+06 1.24499e+04 Potential Pressure (bar) -3.24188e+06 -6.24019e+03 Step Time 493 493.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08460e+03 6.05684e+03 1.99140e+04 2.66186e+02 -9.89267e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.26067e+03 1.17563e+05 4.75650e+05 -3.88038e+06 1.24350e+04 Potential Pressure (bar) -3.24214e+06 -6.24069e+03 Step Time 494 494.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.82380e+03 6.03410e+03 1.99138e+04 2.66247e+02 -9.89275e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25852e+03 1.17565e+05 4.75699e+05 -3.88054e+06 1.24318e+04 Potential Pressure (bar) -3.24254e+06 -6.23959e+03 Step Time 495 495.00000 Step Time 496 496.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84016e+03 6.02782e+03 1.99139e+04 2.66138e+02 -9.89482e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25912e+03 1.17562e+05 4.75785e+05 -3.88077e+06 1.24276e+04 Potential Pressure (bar) -3.24268e+06 -6.23892e+03 Step Time 497 497.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86835e+03 6.04276e+03 1.99138e+04 2.66201e+02 -9.89574e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25735e+03 1.17563e+05 4.75871e+05 -3.88103e+06 1.24233e+04 Potential Pressure (bar) -3.24281e+06 -6.23944e+03 Step Time 498 498.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90303e+03 6.03475e+03 1.99139e+04 2.66063e+02 -9.89807e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25841e+03 1.17559e+05 4.75957e+05 -3.88126e+06 1.24192e+04 Potential Pressure (bar) -3.24294e+06 -6.23863e+03 Step Time 499 499.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95734e+03 6.05993e+03 1.99137e+04 2.66183e+02 -9.89866e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25610e+03 1.17561e+05 4.76043e+05 -3.88152e+06 1.24150e+04 Potential Pressure (bar) -3.24303e+06 -6.23959e+03 Step Time 500 500.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03526e+03 6.05002e+03 1.99139e+04 2.66005e+02 -9.90136e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25787e+03 1.17556e+05 4.76131e+05 -3.88175e+06 1.24110e+04 Potential Pressure (bar) -3.24312e+06 -6.23864e+03 Step Time 501 501.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.13495e+03 6.09499e+03 1.99137e+04 2.66235e+02 -9.90151e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25479e+03 1.17559e+05 4.76215e+05 -3.88200e+06 1.24069e+04 Potential Pressure (bar) -3.24315e+06 -6.24032e+03 Step Time 502 502.00000 Step Time 503 503.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.78780e+03 6.02361e+03 1.99138e+04 2.66001e+02 -9.90321e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25594e+03 1.17556e+05 4.76256e+05 -3.88212e+06 1.24040e+04 Potential Pressure (bar) -3.24364e+06 -6.23721e+03 Step Time 504 504.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.36874e+03 6.12476e+03 1.99136e+04 2.66028e+02 -9.91186e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25128e+03 1.17551e+05 4.76800e+05 -3.88364e+06 1.23786e+04 Potential Pressure (bar) -3.24398e+06 -6.23989e+03 Step Time 505 505.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.83316e+03 6.02660e+03 1.99136e+04 2.65710e+02 -9.91432e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25281e+03 1.17548e+05 4.76848e+05 -3.88377e+06 1.23753e+04 Potential Pressure (bar) -3.24470e+06 -6.23561e+03 Step Time 506 506.00000 Step Time 507 507.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93074e+03 6.05212e+03 1.99136e+04 2.65806e+02 -9.91532e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25108e+03 1.17547e+05 4.76956e+05 -3.88408e+06 1.23700e+04 Potential Pressure (bar) -3.24478e+06 -6.23600e+03 Step Time 508 508.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90353e+03 6.03444e+03 1.99136e+04 2.65645e+02 -9.91781e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25216e+03 1.17545e+05 4.77031e+05 -3.88428e+06 1.23667e+04 Potential Pressure (bar) -3.24496e+06 -6.23521e+03 Step Time 509 509.00000 Step Time 510 510.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.79541e+03 6.02682e+03 1.99135e+04 2.65685e+02 -9.91810e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25090e+03 1.17545e+05 4.77079e+05 -3.88442e+06 1.23638e+04 Potential Pressure (bar) -3.24517e+06 -6.23451e+03 Step Time 511 511.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96551e+03 6.04179e+03 1.99135e+04 2.65541e+02 -9.92272e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.25093e+03 1.17541e+05 4.77294e+05 -3.88500e+06 1.23540e+04 Potential Pressure (bar) -3.24537e+06 -6.23446e+03 Step Time 512 512.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.82568e+03 6.03328e+03 1.99134e+04 2.65601e+02 -9.92291e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24917e+03 1.17541e+05 4.77349e+05 -3.88517e+06 1.23510e+04 Potential Pressure (bar) -3.24563e+06 -6.23376e+03 Step Time 513 513.00000 Step Time 514 514.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81787e+03 6.02515e+03 1.99134e+04 2.65508e+02 -9.92477e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24962e+03 1.17539e+05 4.77423e+05 -3.88536e+06 1.23475e+04 Potential Pressure (bar) -3.24578e+06 -6.23316e+03 Step Time 515 515.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86030e+03 6.03987e+03 1.99133e+04 2.65548e+02 -9.92598e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24807e+03 1.17539e+05 4.77524e+05 -3.88565e+06 1.23426e+04 Potential Pressure (bar) -3.24591e+06 -6.23332e+03 Step Time 516 516.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85546e+03 6.02898e+03 1.99133e+04 2.65431e+02 -9.92819e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24888e+03 1.17536e+05 4.77600e+05 -3.88585e+06 1.23390e+04 Potential Pressure (bar) -3.24605e+06 -6.23259e+03 Step Time 517 517.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92701e+03 6.05252e+03 1.99132e+04 2.65517e+02 -9.92897e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24694e+03 1.17537e+05 4.77696e+05 -3.88612e+06 1.23346e+04 Potential Pressure (bar) -3.24614e+06 -6.23314e+03 Step Time 518 518.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93724e+03 6.03822e+03 1.99133e+04 2.65364e+02 -9.93158e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24828e+03 1.17534e+05 4.77775e+05 -3.88633e+06 1.23309e+04 Potential Pressure (bar) -3.24628e+06 -6.23219e+03 Step Time 519 519.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05739e+03 6.07742e+03 1.99132e+04 2.65528e+02 -9.93187e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24574e+03 1.17535e+05 4.77867e+05 -3.88659e+06 1.23268e+04 Potential Pressure (bar) -3.24630e+06 -6.23328e+03 Step Time 520 520.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.11413e+03 6.05915e+03 1.99133e+04 2.65317e+02 -9.93499e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24788e+03 1.17530e+05 4.77951e+05 -3.88680e+06 1.23231e+04 Potential Pressure (bar) -3.24639e+06 -6.23234e+03 Step Time 521 521.00000 Step Time 522 522.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.79752e+03 6.02717e+03 1.99131e+04 2.65360e+02 -9.93492e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24594e+03 1.17532e+05 4.77992e+05 -3.88694e+06 1.23202e+04 Potential Pressure (bar) -3.24684e+06 -6.23075e+03 Step Time 523 523.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.24195e+03 6.07550e+03 1.99132e+04 2.65183e+02 -9.94238e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24608e+03 1.17524e+05 4.78340e+05 -3.88786e+06 1.23050e+04 Potential Pressure (bar) -3.24694e+06 -6.23123e+03 Step Time 524 524.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84957e+03 6.03757e+03 1.99129e+04 2.65238e+02 -9.94204e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24332e+03 1.17527e+05 4.78388e+05 -3.88801e+06 1.23018e+04 Potential Pressure (bar) -3.24748e+06 -6.22967e+03 Step Time 525 525.00000 Step Time 526 526.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88119e+03 6.03180e+03 1.99130e+04 2.65131e+02 -9.94436e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24438e+03 1.17523e+05 4.78476e+05 -3.88824e+06 1.22977e+04 Potential Pressure (bar) -3.24760e+06 -6.22867e+03 Step Time 527 527.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91066e+03 6.04963e+03 1.99128e+04 2.65205e+02 -9.94499e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24223e+03 1.17525e+05 4.78559e+05 -3.88848e+06 1.22939e+04 Potential Pressure (bar) -3.24772e+06 -6.22942e+03 Step Time 528 528.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97421e+03 6.04234e+03 1.99129e+04 2.65065e+02 -9.94762e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24390e+03 1.17520e+05 4.78648e+05 -3.88870e+06 1.22899e+04 Potential Pressure (bar) -3.24780e+06 -6.22816e+03 Step Time 529 529.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03379e+03 6.07411e+03 1.99127e+04 2.65213e+02 -9.94785e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24101e+03 1.17523e+05 4.78730e+05 -3.88894e+06 1.22863e+04 Potential Pressure (bar) -3.24787e+06 -6.22960e+03 Step Time 530 530.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.16978e+03 6.06472e+03 1.99129e+04 2.65024e+02 -9.95093e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24362e+03 1.17517e+05 4.78820e+05 -3.88916e+06 1.22825e+04 Potential Pressure (bar) -3.24788e+06 -6.22821e+03 Step Time 531 531.00000 Step Time 532 532.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.79655e+03 6.02608e+03 1.99126e+04 2.65042e+02 -9.95085e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24142e+03 1.17519e+05 4.78858e+05 -3.88928e+06 1.22797e+04 Potential Pressure (bar) -3.24837e+06 -6.22677e+03 Step Time 533 533.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.28763e+03 6.08301e+03 1.99126e+04 2.64798e+02 -9.96239e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.24064e+03 1.17508e+05 4.79430e+05 -3.89078e+06 1.22544e+04 Potential Pressure (bar) -3.24880e+06 -6.22561e+03 Step Time 534 534.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84465e+03 6.03473e+03 1.99122e+04 2.64806e+02 -9.96205e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23755e+03 1.17513e+05 4.79475e+05 -3.89093e+06 1.22515e+04 Potential Pressure (bar) -3.24940e+06 -6.22466e+03 Step Time 535 535.00000 Step Time 536 536.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90228e+03 6.03440e+03 1.99123e+04 2.64714e+02 -9.96436e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23895e+03 1.17507e+05 4.79574e+05 -3.89118e+06 1.22470e+04 Potential Pressure (bar) -3.24950e+06 -6.22303e+03 Step Time 537 537.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89887e+03 6.04653e+03 1.99120e+04 2.64771e+02 -9.96499e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23651e+03 1.17511e+05 4.79649e+05 -3.89140e+06 1.22437e+04 Potential Pressure (bar) -3.24963e+06 -6.22423e+03 Step Time 538 538.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00479e+03 6.04579e+03 1.99122e+04 2.64655e+02 -9.96752e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23857e+03 1.17504e+05 4.79744e+05 -3.89163e+06 1.22395e+04 Potential Pressure (bar) -3.24967e+06 -6.22227e+03 Step Time 539 539.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01345e+03 6.07057e+03 1.99118e+04 2.64772e+02 -9.96787e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23526e+03 1.17509e+05 4.79821e+05 -3.89186e+06 1.22362e+04 Potential Pressure (bar) -3.24979e+06 -6.22438e+03 Step Time 540 540.00000 Step Time 541 541.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80492e+03 6.02426e+03 1.99120e+04 2.64621e+02 -9.96938e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23667e+03 1.17505e+05 4.79867e+05 -3.89197e+06 1.22335e+04 Potential Pressure (bar) -3.25012e+06 -6.22136e+03 Step Time 542 542.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.13695e+03 6.08927e+03 1.99115e+04 2.64640e+02 -9.97404e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23320e+03 1.17505e+05 4.80175e+05 -3.89279e+06 1.22203e+04 Potential Pressure (bar) -3.25025e+06 -6.22353e+03 Step Time 543 543.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84499e+03 6.02768e+03 1.99117e+04 2.64449e+02 -9.97605e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23527e+03 1.17499e+05 4.80227e+05 -3.89292e+06 1.22174e+04 Potential Pressure (bar) -3.25069e+06 -6.21935e+03 Step Time 544 544.00000 Step Time 545 545.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87094e+03 6.03990e+03 1.99115e+04 2.64482e+02 -9.97692e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23336e+03 1.17501e+05 4.80313e+05 -3.89316e+06 1.22134e+04 Potential Pressure (bar) -3.25081e+06 -6.22019e+03 Step Time 546 546.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89680e+03 6.03325e+03 1.99116e+04 2.64382e+02 -9.97920e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23477e+03 1.17496e+05 4.80399e+05 -3.89336e+06 1.22098e+04 Potential Pressure (bar) -3.25092e+06 -6.21845e+03 Step Time 547 547.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94571e+03 6.05484e+03 1.99113e+04 2.64451e+02 -9.97976e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23221e+03 1.17499e+05 4.80484e+05 -3.89361e+06 1.22060e+04 Potential Pressure (bar) -3.25101e+06 -6.21994e+03 Step Time 548 548.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00664e+03 6.04548e+03 1.99115e+04 2.64328e+02 -9.98243e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23445e+03 1.17492e+05 4.80570e+05 -3.89381e+06 1.22025e+04 Potential Pressure (bar) -3.25108e+06 -6.21780e+03 Step Time 549 549.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.09459e+03 6.08575e+03 1.99111e+04 2.64473e+02 -9.98247e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23096e+03 1.17497e+05 4.80654e+05 -3.89405e+06 1.21988e+04 Potential Pressure (bar) -3.25111e+06 -6.22024e+03 Step Time 550 550.00000 Step Time 551 551.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.80376e+03 6.02458e+03 1.99112e+04 2.64296e+02 -9.98412e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.23246e+03 1.17493e+05 4.80696e+05 -3.89415e+06 1.21962e+04 Potential Pressure (bar) -3.25152e+06 -6.21672e+03 Step Time 552 552.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.27936e+03 6.10947e+03 1.99106e+04 2.64256e+02 -9.99239e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22778e+03 1.17490e+05 4.81237e+05 -3.89557e+06 1.21732e+04 Potential Pressure (bar) -3.25187e+06 -6.21820e+03 Step Time 553 553.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.83878e+03 6.02696e+03 1.99107e+04 2.64024e+02 -9.99468e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22995e+03 1.17485e+05 4.81284e+05 -3.89568e+06 1.21704e+04 Potential Pressure (bar) -3.25247e+06 -6.21338e+03 Step Time 554 554.00000 Step Time 555 555.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92080e+03 6.04807e+03 1.99105e+04 2.64072e+02 -9.99553e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22796e+03 1.17486e+05 4.81392e+05 -3.89596e+06 1.21656e+04 Potential Pressure (bar) -3.25255e+06 -6.21404e+03 Step Time 556 556.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89435e+03 6.03289e+03 1.99105e+04 2.63962e+02 -9.99787e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22951e+03 1.17482e+05 4.81465e+05 -3.89614e+06 1.21627e+04 Potential Pressure (bar) -3.25270e+06 -6.21229e+03 Step Time 557 557.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02223e+03 6.06835e+03 1.99103e+04 2.64056e+02 -9.99814e+02 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22683e+03 1.17484e+05 4.81564e+05 -3.89641e+06 1.21583e+04 Potential Pressure (bar) -3.25271e+06 -6.21377e+03 Step Time 558 558.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01725e+03 6.04668e+03 1.99104e+04 2.63911e+02 -1.00011e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22925e+03 1.17478e+05 4.81642e+05 -3.89659e+06 1.21554e+04 Potential Pressure (bar) -3.25285e+06 -6.21161e+03 Step Time 559 559.00000 Step Time 560 560.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81380e+03 6.02851e+03 1.99102e+04 2.63925e+02 -1.00009e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22723e+03 1.17480e+05 4.81685e+05 -3.89672e+06 1.21526e+04 Potential Pressure (bar) -3.25315e+06 -6.21103e+03 Step Time 561 561.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.12310e+03 6.06035e+03 1.99102e+04 2.63806e+02 -1.00064e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22812e+03 1.17474e+05 4.81949e+05 -3.89737e+06 1.21421e+04 Potential Pressure (bar) -3.25322e+06 -6.21013e+03 Step Time 562 562.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85949e+03 6.03791e+03 1.99099e+04 2.63829e+02 -1.00060e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22529e+03 1.17477e+05 4.81999e+05 -3.89752e+06 1.21391e+04 Potential Pressure (bar) -3.25361e+06 -6.20967e+03 Step Time 563 563.00000 Step Time 564 564.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86340e+03 6.02976e+03 1.99099e+04 2.63747e+02 -1.00081e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22646e+03 1.17473e+05 4.82078e+05 -3.89772e+06 1.21358e+04 Potential Pressure (bar) -3.25374e+06 -6.20818e+03 Step Time 565 565.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91230e+03 6.04819e+03 1.99096e+04 2.63786e+02 -1.00086e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22425e+03 1.17475e+05 4.82168e+05 -3.89796e+06 1.21319e+04 Potential Pressure (bar) -3.25382e+06 -6.20908e+03 Step Time 566 566.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93091e+03 6.03722e+03 1.99097e+04 2.63684e+02 -1.00111e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22607e+03 1.17470e+05 4.82249e+05 -3.89815e+06 1.21286e+04 Potential Pressure (bar) -3.25393e+06 -6.20718e+03 Step Time 567 567.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01579e+03 6.06896e+03 1.99094e+04 2.63774e+02 -1.00111e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22312e+03 1.17473e+05 4.82337e+05 -3.89839e+06 1.21249e+04 Potential Pressure (bar) -3.25397e+06 -6.20888e+03 Step Time 568 568.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07666e+03 6.05354e+03 1.99097e+04 2.63640e+02 -1.00141e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22590e+03 1.17467e+05 4.82420e+05 -3.89858e+06 1.21217e+04 Potential Pressure (bar) -3.25404e+06 -6.20658e+03 Step Time 569 569.00000 Step Time 570 570.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81183e+03 6.02759e+03 1.99094e+04 2.63643e+02 -1.00139e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22368e+03 1.17469e+05 4.82460e+05 -3.89869e+06 1.21191e+04 Potential Pressure (bar) -3.25441e+06 -6.20593e+03 Step Time 571 571.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.19009e+03 6.06922e+03 1.99092e+04 2.63479e+02 -1.00212e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22420e+03 1.17461e+05 4.82846e+05 -3.89965e+06 1.21036e+04 Potential Pressure (bar) -3.25459e+06 -6.20416e+03 Step Time 572 572.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85511e+03 6.03612e+03 1.99089e+04 2.63484e+02 -1.00208e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22112e+03 1.17465e+05 4.82894e+05 -3.89980e+06 1.21006e+04 Potential Pressure (bar) -3.25505e+06 -6.20375e+03 Step Time 573 573.00000 Step Time 574 574.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88656e+03 6.03248e+03 1.99089e+04 2.63410e+02 -1.00229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22248e+03 1.17460e+05 4.82982e+05 -3.90001e+06 1.20969e+04 Potential Pressure (bar) -3.25516e+06 -6.20197e+03 Step Time 575 575.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90560e+03 6.04645e+03 1.99087e+04 2.63446e+02 -1.00233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22011e+03 1.17463e+05 4.83062e+05 -3.90022e+06 1.20936e+04 Potential Pressure (bar) -3.25526e+06 -6.20311e+03 Step Time 576 576.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96722e+03 6.04146e+03 1.99088e+04 2.63356e+02 -1.00257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22218e+03 1.17457e+05 4.83151e+05 -3.90043e+06 1.20901e+04 Potential Pressure (bar) -3.25533e+06 -6.20093e+03 Step Time 577 577.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00843e+03 6.06771e+03 1.99084e+04 2.63436e+02 -1.00257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21896e+03 1.17462e+05 4.83231e+05 -3.90065e+06 1.20867e+04 Potential Pressure (bar) -3.25540e+06 -6.20293e+03 Step Time 578 578.00000 Step Time 579 579.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81317e+03 6.02524e+03 1.99085e+04 2.63316e+02 -1.00272e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.22038e+03 1.17458e+05 4.83274e+05 -3.90075e+06 1.20845e+04 Potential Pressure (bar) -3.25570e+06 -6.20001e+03 Step Time 580 580.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.12218e+03 6.08310e+03 1.99079e+04 2.63264e+02 -1.00327e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21668e+03 1.17456e+05 4.83680e+05 -3.90177e+06 1.20680e+04 Potential Pressure (bar) -3.25598e+06 -6.20072e+03 Step Time 581 581.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84134e+03 6.02726e+03 1.99080e+04 2.63116e+02 -1.00347e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21872e+03 1.17451e+05 4.83729e+05 -3.90188e+06 1.20655e+04 Potential Pressure (bar) -3.25638e+06 -6.19674e+03 Step Time 582 582.00000 Step Time 583 583.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88419e+03 6.04060e+03 1.99078e+04 2.63134e+02 -1.00354e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21687e+03 1.17452e+05 4.83824e+05 -3.90213e+06 1.20614e+04 Potential Pressure (bar) -3.25649e+06 -6.19731e+03 Step Time 584 584.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88142e+03 6.03148e+03 1.99079e+04 2.63058e+02 -1.00374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21831e+03 1.17448e+05 4.83901e+05 -3.90231e+06 1.20584e+04 Potential Pressure (bar) -3.25660e+06 -6.19549e+03 Step Time 585 585.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95198e+03 6.05416e+03 1.99076e+04 2.63106e+02 -1.00377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21582e+03 1.17451e+05 4.83992e+05 -3.90255e+06 1.20545e+04 Potential Pressure (bar) -3.25667e+06 -6.19671e+03 Step Time 586 586.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96842e+03 6.04112e+03 1.99077e+04 2.63008e+02 -1.00403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21806e+03 1.17445e+05 4.84072e+05 -3.90273e+06 1.20516e+04 Potential Pressure (bar) -3.25677e+06 -6.19442e+03 Step Time 587 587.00000 Step Time 588 588.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81735e+03 6.02765e+03 1.99075e+04 2.63010e+02 -1.00401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21622e+03 1.17447e+05 4.84114e+05 -3.90285e+06 1.20492e+04 Potential Pressure (bar) -3.25701e+06 -6.19424e+03 Step Time 589 589.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04354e+03 6.05109e+03 1.99074e+04 2.62885e+02 -1.00458e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21679e+03 1.17440e+05 4.84426e+05 -3.90360e+06 1.20371e+04 Potential Pressure (bar) -3.25722e+06 -6.19200e+03 Step Time 590 590.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84732e+03 6.03385e+03 1.99071e+04 2.62881e+02 -1.00454e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21423e+03 1.17443e+05 4.84475e+05 -3.90375e+06 1.20344e+04 Potential Pressure (bar) -3.25754e+06 -6.19203e+03 Step Time 591 591.00000 Step Time 592 592.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85860e+03 6.02919e+03 1.99071e+04 2.62827e+02 -1.00473e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21528e+03 1.17440e+05 4.84558e+05 -3.90394e+06 1.20311e+04 Potential Pressure (bar) -3.25764e+06 -6.19043e+03 Step Time 593 593.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88231e+03 6.04082e+03 1.99069e+04 2.62837e+02 -1.00478e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21328e+03 1.17442e+05 4.84641e+05 -3.90416e+06 1.20276e+04 Potential Pressure (bar) -3.25774e+06 -6.19121e+03 Step Time 594 594.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90753e+03 6.03455e+03 1.99070e+04 2.62767e+02 -1.00499e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21492e+03 1.17437e+05 4.84725e+05 -3.90434e+06 1.20243e+04 Potential Pressure (bar) -3.25784e+06 -6.18916e+03 Step Time 595 595.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95214e+03 6.05487e+03 1.99067e+04 2.62810e+02 -1.00500e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21223e+03 1.17440e+05 4.84808e+05 -3.90457e+06 1.20210e+04 Potential Pressure (bar) -3.25791e+06 -6.19061e+03 Step Time 596 596.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01118e+03 6.04607e+03 1.99069e+04 2.62723e+02 -1.00526e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21475e+03 1.17434e+05 4.84892e+05 -3.90475e+06 1.20179e+04 Potential Pressure (bar) -3.25797e+06 -6.18810e+03 Step Time 597 597.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.09147e+03 6.08421e+03 1.99065e+04 2.62827e+02 -1.00522e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21106e+03 1.17439e+05 4.84973e+05 -3.90497e+06 1.20147e+04 Potential Pressure (bar) -3.25800e+06 -6.19058e+03 Step Time 598 598.00000 Step Time 599 599.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.81845e+03 6.02579e+03 1.99066e+04 2.62690e+02 -1.00539e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21276e+03 1.17434e+05 4.85014e+05 -3.90507e+06 1.20122e+04 Potential Pressure (bar) -3.25839e+06 -6.18698e+03 Step Time 600 600.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.25605e+03 6.10382e+03 1.99059e+04 2.62634e+02 -1.00598e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20840e+03 1.17433e+05 4.85522e+05 -3.90631e+06 1.19924e+04 Potential Pressure (bar) -3.25863e+06 -6.18763e+03 Step Time 601 601.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85121e+03 6.02806e+03 1.99060e+04 2.62463e+02 -1.00623e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21080e+03 1.17427e+05 4.85568e+05 -3.90641e+06 1.19899e+04 Potential Pressure (bar) -3.25917e+06 -6.18268e+03 Step Time 602 602.00000 Step Time 603 603.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92535e+03 6.04717e+03 1.99058e+04 2.62489e+02 -1.00627e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20875e+03 1.17428e+05 4.85671e+05 -3.90667e+06 1.19857e+04 Potential Pressure (bar) -3.25925e+06 -6.18332e+03 Step Time 604 604.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90283e+03 6.03357e+03 1.99059e+04 2.62410e+02 -1.00650e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21053e+03 1.17424e+05 4.85743e+05 -3.90683e+06 1.19832e+04 Potential Pressure (bar) -3.25937e+06 -6.18127e+03 Step Time 605 605.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01872e+03 6.06607e+03 1.99056e+04 2.62474e+02 -1.00648e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20771e+03 1.17427e+05 4.85837e+05 -3.90708e+06 1.19792e+04 Potential Pressure (bar) -3.25938e+06 -6.18274e+03 Step Time 606 606.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01690e+03 6.04626e+03 1.99057e+04 2.62374e+02 -1.00677e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.21043e+03 1.17421e+05 4.85914e+05 -3.90724e+06 1.19766e+04 Potential Pressure (bar) -3.25950e+06 -6.18017e+03 Step Time 607 607.00000 Step Time 608 608.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.82719e+03 6.02924e+03 1.99055e+04 2.62371e+02 -1.00672e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20830e+03 1.17423e+05 4.85956e+05 -3.90737e+06 1.19741e+04 Potential Pressure (bar) -3.25979e+06 -6.17978e+03 Step Time 609 609.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.11698e+03 6.05933e+03 1.99055e+04 2.62276e+02 -1.00721e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20950e+03 1.17417e+05 4.86220e+05 -3.90798e+06 1.19646e+04 Potential Pressure (bar) -3.25983e+06 -6.17806e+03 Step Time 610 610.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86964e+03 6.03789e+03 1.99052e+04 2.62278e+02 -1.00714e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20652e+03 1.17420e+05 4.86269e+05 -3.90812e+06 1.19617e+04 Potential Pressure (bar) -3.26019e+06 -6.17783e+03 Step Time 611 611.00000 Step Time 612 612.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87438e+03 6.03067e+03 1.99052e+04 2.62220e+02 -1.00733e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20785e+03 1.17416e+05 4.86346e+05 -3.90830e+06 1.19588e+04 Potential Pressure (bar) -3.26030e+06 -6.17611e+03 Step Time 613 613.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91867e+03 6.04750e+03 1.99050e+04 2.62242e+02 -1.00735e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20558e+03 1.17419e+05 4.86433e+05 -3.90851e+06 1.19553e+04 Potential Pressure (bar) -3.26038e+06 -6.17704e+03 Step Time 614 614.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93781e+03 6.03769e+03 1.99051e+04 2.62167e+02 -1.00758e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20760e+03 1.17414e+05 4.86512e+05 -3.90869e+06 1.19524e+04 Potential Pressure (bar) -3.26047e+06 -6.17479e+03 Step Time 615 615.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01503e+03 6.06701e+03 1.99048e+04 2.62232e+02 -1.00755e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20454e+03 1.17417e+05 4.86596e+05 -3.90891e+06 1.19491e+04 Potential Pressure (bar) -3.26050e+06 -6.17655e+03 Step Time 616 616.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07472e+03 6.05289e+03 1.99050e+04 2.62137e+02 -1.00783e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20760e+03 1.17410e+05 4.86678e+05 -3.90908e+06 1.19462e+04 Potential Pressure (bar) -3.26056e+06 -6.17378e+03 Step Time 617 617.00000 Step Time 618 618.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.82536e+03 6.02831e+03 1.99048e+04 2.62125e+02 -1.00779e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20528e+03 1.17413e+05 4.86717e+05 -3.90920e+06 1.19439e+04 Potential Pressure (bar) -3.26091e+06 -6.17335e+03 Step Time 619 619.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.18418e+03 6.06824e+03 1.99047e+04 2.61993e+02 -1.00842e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20614e+03 1.17405e+05 4.87105e+05 -3.91010e+06 1.19296e+04 Potential Pressure (bar) -3.26105e+06 -6.17056e+03 Step Time 620 620.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86616e+03 6.03617e+03 1.99043e+04 2.61975e+02 -1.00835e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20295e+03 1.17409e+05 4.87150e+05 -3.91024e+06 1.19270e+04 Potential Pressure (bar) -3.26149e+06 -6.17042e+03 Step Time 621 621.00000 Step Time 622 622.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89693e+03 6.03321e+03 1.99044e+04 2.61929e+02 -1.00855e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20447e+03 1.17405e+05 4.87238e+05 -3.91043e+06 1.19236e+04 Potential Pressure (bar) -3.26158e+06 -6.16838e+03 Step Time 623 623.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91373e+03 6.04598e+03 1.99041e+04 2.61944e+02 -1.00856e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20204e+03 1.17408e+05 4.87314e+05 -3.91063e+06 1.19207e+04 Potential Pressure (bar) -3.26167e+06 -6.16954e+03 Step Time 624 624.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97386e+03 6.04178e+03 1.99043e+04 2.61885e+02 -1.00878e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20431e+03 1.17402e+05 4.87401e+05 -3.91081e+06 1.19175e+04 Potential Pressure (bar) -3.26172e+06 -6.16706e+03 Step Time 625 625.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01094e+03 6.06619e+03 1.99039e+04 2.61933e+02 -1.00875e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20099e+03 1.17407e+05 4.87477e+05 -3.91102e+06 1.19145e+04 Potential Pressure (bar) -3.26178e+06 -6.16910e+03 Step Time 626 626.00000 Step Time 627 627.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.82674e+03 6.02605e+03 1.99040e+04 2.61844e+02 -1.00889e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20253e+03 1.17403e+05 4.87519e+05 -3.91111e+06 1.19125e+04 Potential Pressure (bar) -3.26206e+06 -6.16605e+03 Step Time 628 628.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.11633e+03 6.08052e+03 1.99035e+04 2.61791e+02 -1.00928e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19904e+03 1.17402e+05 4.87896e+05 -3.91201e+06 1.18984e+04 Potential Pressure (bar) -3.26226e+06 -6.16638e+03 Step Time 629 629.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85348e+03 6.02799e+03 1.99037e+04 2.61682e+02 -1.00947e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20127e+03 1.17397e+05 4.87945e+05 -3.91211e+06 1.18962e+04 Potential Pressure (bar) -3.26264e+06 -6.16223e+03 Step Time 630 630.00000 Step Time 631 631.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89252e+03 6.04016e+03 1.99034e+04 2.61685e+02 -1.00951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19940e+03 1.17398e+05 4.88036e+05 -3.91234e+06 1.18925e+04 Potential Pressure (bar) -3.26272e+06 -6.16276e+03 Step Time 632 632.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89142e+03 6.03200e+03 1.99035e+04 2.61635e+02 -1.00970e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20100e+03 1.17394e+05 4.88111e+05 -3.91250e+06 1.18899e+04 Potential Pressure (bar) -3.26283e+06 -6.16070e+03 Step Time 633 633.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95611e+03 6.05291e+03 1.99033e+04 2.61653e+02 -1.00970e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19845e+03 1.17397e+05 4.88198e+05 -3.91272e+06 1.18865e+04 Potential Pressure (bar) -3.26288e+06 -6.16194e+03 Step Time 634 634.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97379e+03 6.04110e+03 1.99034e+04 2.61591e+02 -1.00993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.20089e+03 1.17391e+05 4.88276e+05 -3.91289e+06 1.18838e+04 Potential Pressure (bar) -3.26296e+06 -6.15935e+03 Step Time 635 635.00000 Step Time 636 636.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.83007e+03 6.02807e+03 1.99032e+04 2.61580e+02 -1.00991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19900e+03 1.17394e+05 4.88316e+05 -3.91300e+06 1.18817e+04 Potential Pressure (bar) -3.26319e+06 -6.15926e+03 Step Time 637 637.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04581e+03 6.05077e+03 1.99032e+04 2.61479e+02 -1.01040e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19983e+03 1.17387e+05 4.88629e+05 -3.91372e+06 1.18704e+04 Potential Pressure (bar) -3.26338e+06 -6.15634e+03 Step Time 638 638.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85829e+03 6.03374e+03 1.99029e+04 2.61467e+02 -1.01035e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19718e+03 1.17390e+05 4.88676e+05 -3.91385e+06 1.18680e+04 Potential Pressure (bar) -3.26367e+06 -6.15653e+03 Step Time 639 639.00000 Step Time 640 640.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86989e+03 6.02973e+03 1.99029e+04 2.61424e+02 -1.01051e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19835e+03 1.17387e+05 4.88758e+05 -3.91402e+06 1.18650e+04 Potential Pressure (bar) -3.26376e+06 -6.15468e+03 Step Time 641 641.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89126e+03 6.04029e+03 1.99027e+04 2.61426e+02 -1.01054e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19633e+03 1.17389e+05 4.88837e+05 -3.91422e+06 1.18621e+04 Potential Pressure (bar) -3.26385e+06 -6.15547e+03 Step Time 642 642.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91668e+03 6.03487e+03 1.99028e+04 2.61376e+02 -1.01073e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19813e+03 1.17384e+05 4.88918e+05 -3.91440e+06 1.18591e+04 Potential Pressure (bar) -3.26393e+06 -6.15323e+03 Step Time 643 643.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95734e+03 6.05364e+03 1.99026e+04 2.61398e+02 -1.01072e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19538e+03 1.17388e+05 4.88997e+05 -3.91460e+06 1.18562e+04 Potential Pressure (bar) -3.26400e+06 -6.15470e+03 Step Time 644 644.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01571e+03 6.04587e+03 1.99028e+04 2.61344e+02 -1.01095e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19810e+03 1.17381e+05 4.89080e+05 -3.91477e+06 1.18534e+04 Potential Pressure (bar) -3.26404e+06 -6.15189e+03 Step Time 645 645.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08945e+03 6.08166e+03 1.99024e+04 2.61414e+02 -1.01088e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19430e+03 1.17387e+05 4.89157e+05 -3.91498e+06 1.18505e+04 Potential Pressure (bar) -3.26406e+06 -6.15448e+03 Step Time 646 646.00000 Step Time 647 647.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.83116e+03 6.02622e+03 1.99025e+04 2.61305e+02 -1.01103e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19613e+03 1.17382e+05 4.89197e+05 -3.91505e+06 1.18483e+04 Potential Pressure (bar) -3.26442e+06 -6.15075e+03 Step Time 648 648.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.24134e+03 6.09983e+03 1.99019e+04 2.61243e+02 -1.01148e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19204e+03 1.17382e+05 4.89666e+05 -3.91616e+06 1.18315e+04 Potential Pressure (bar) -3.26460e+06 -6.15098e+03 Step Time 649 649.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86230e+03 6.02837e+03 1.99021e+04 2.61112e+02 -1.01170e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19467e+03 1.17376e+05 4.89711e+05 -3.91625e+06 1.18293e+04 Potential Pressure (bar) -3.26510e+06 -6.14592e+03 Step Time 650 650.00000 Step Time 651 651.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93036e+03 6.04590e+03 1.99019e+04 2.61123e+02 -1.01171e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19256e+03 1.17378e+05 4.89809e+05 -3.91649e+06 1.18254e+04 Potential Pressure (bar) -3.26515e+06 -6.14660e+03 Step Time 652 652.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91106e+03 6.03359e+03 1.99020e+04 2.61075e+02 -1.01191e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19452e+03 1.17373e+05 4.89879e+05 -3.91663e+06 1.18232e+04 Potential Pressure (bar) -3.26527e+06 -6.14425e+03 Step Time 653 653.00000 Step Time 654 654.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.83642e+03 6.02823e+03 1.99018e+04 2.61064e+02 -1.01189e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19297e+03 1.17375e+05 4.89923e+05 -3.91674e+06 1.18212e+04 Potential Pressure (bar) -3.26542e+06 -6.14425e+03 Step Time 655 655.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95677e+03 6.03921e+03 1.99018e+04 2.60990e+02 -1.01224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19387e+03 1.17370e+05 4.90133e+05 -3.91722e+06 1.18139e+04 Potential Pressure (bar) -3.26556e+06 -6.14186e+03 Step Time 656 656.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85847e+03 6.03286e+03 1.99016e+04 2.60982e+02 -1.01219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19170e+03 1.17372e+05 4.90184e+05 -3.91735e+06 1.18116e+04 Potential Pressure (bar) -3.26575e+06 -6.14208e+03 Step Time 657 657.00000 Step Time 658 658.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85225e+03 6.02732e+03 1.99016e+04 2.60945e+02 -1.01233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19262e+03 1.17370e+05 4.90253e+05 -3.91750e+06 1.18091e+04 Potential Pressure (bar) -3.26585e+06 -6.14055e+03 Step Time 659 659.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88352e+03 6.03766e+03 1.99014e+04 2.60936e+02 -1.01236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19091e+03 1.17371e+05 4.90344e+05 -3.91772e+06 1.18057e+04 Potential Pressure (bar) -3.26594e+06 -6.14082e+03 Step Time 660 660.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87934e+03 6.03011e+03 1.99015e+04 2.60897e+02 -1.01254e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19234e+03 1.17367e+05 4.90416e+05 -3.91787e+06 1.18032e+04 Potential Pressure (bar) -3.26604e+06 -6.13893e+03 Step Time 661 661.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93182e+03 6.04715e+03 1.99013e+04 2.60903e+02 -1.01253e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19005e+03 1.17370e+05 4.90503e+05 -3.91809e+06 1.17999e+04 Potential Pressure (bar) -3.26610e+06 -6.13981e+03 Step Time 662 662.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93866e+03 6.03665e+03 1.99014e+04 2.60855e+02 -1.01275e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19222e+03 1.17365e+05 4.90577e+05 -3.91824e+06 1.17975e+04 Potential Pressure (bar) -3.26618e+06 -6.13741e+03 Step Time 663 663.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02623e+03 6.06635e+03 1.99011e+04 2.60893e+02 -1.01269e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18909e+03 1.17369e+05 4.90661e+05 -3.91845e+06 1.17944e+04 Potential Pressure (bar) -3.26619e+06 -6.13917e+03 Step Time 664 664.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06781e+03 6.05092e+03 1.99014e+04 2.60833e+02 -1.01296e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19233e+03 1.17362e+05 4.90738e+05 -3.91861e+06 1.17920e+04 Potential Pressure (bar) -3.26626e+06 -6.13614e+03 Step Time 665 665.00000 Step Time 666 666.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.83808e+03 6.02850e+03 1.99012e+04 2.60809e+02 -1.01290e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18996e+03 1.17365e+05 4.90776e+05 -3.91871e+06 1.17898e+04 Potential Pressure (bar) -3.26657e+06 -6.13585e+03 Step Time 667 667.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.17645e+03 6.06590e+03 1.99011e+04 2.60724e+02 -1.01341e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.19131e+03 1.17357e+05 4.91111e+05 -3.91945e+06 1.17786e+04 Potential Pressure (bar) -3.26662e+06 -6.13284e+03 Step Time 668 668.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87897e+03 6.03641e+03 1.99008e+04 2.60693e+02 -1.01332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18804e+03 1.17362e+05 4.91155e+05 -3.91958e+06 1.17761e+04 Potential Pressure (bar) -3.26703e+06 -6.13281e+03 Step Time 669 669.00000 Step Time 670 670.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90264e+03 6.03262e+03 1.99009e+04 2.60659e+02 -1.01349e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18965e+03 1.17358e+05 4.91237e+05 -3.91975e+06 1.17733e+04 Potential Pressure (bar) -3.26711e+06 -6.13067e+03 Step Time 671 671.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92674e+03 6.04607e+03 1.99006e+04 2.60662e+02 -1.01348e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18721e+03 1.17361e+05 4.91312e+05 -3.91994e+06 1.17705e+04 Potential Pressure (bar) -3.26719e+06 -6.13181e+03 Step Time 672 672.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97575e+03 6.04078e+03 1.99008e+04 2.60620e+02 -1.01369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18960e+03 1.17355e+05 4.91394e+05 -3.92011e+06 1.17678e+04 Potential Pressure (bar) -3.26724e+06 -6.12917e+03 Step Time 673 673.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02334e+03 6.06614e+03 1.99005e+04 2.60655e+02 -1.01363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18623e+03 1.17360e+05 4.91469e+05 -3.92030e+06 1.17652e+04 Potential Pressure (bar) -3.26728e+06 -6.13122e+03 Step Time 674 674.00000 Step Time 675 675.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.83714e+03 6.02592e+03 1.99006e+04 2.60586e+02 -1.01377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18786e+03 1.17356e+05 4.91509e+05 -3.92038e+06 1.17633e+04 Potential Pressure (bar) -3.26755e+06 -6.12811e+03 Step Time 676 676.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.12921e+03 6.07942e+03 1.99000e+04 2.60490e+02 -1.01411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18436e+03 1.17356e+05 4.91921e+05 -3.92132e+06 1.17490e+04 Potential Pressure (bar) -3.26776e+06 -6.12763e+03 Step Time 677 677.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86112e+03 6.02748e+03 1.99002e+04 2.60413e+02 -1.01430e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18670e+03 1.17350e+05 4.91966e+05 -3.92141e+06 1.17471e+04 Potential Pressure (bar) -3.26813e+06 -6.12343e+03 Step Time 678 678.00000 Step Time 679 679.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90631e+03 6.04009e+03 1.99000e+04 2.60409e+02 -1.01432e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18482e+03 1.17352e+05 4.92058e+05 -3.92163e+06 1.17437e+04 Potential Pressure (bar) -3.26820e+06 -6.12386e+03 Step Time 680 680.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89685e+03 6.03126e+03 1.99001e+04 2.60376e+02 -1.01450e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18653e+03 1.17348e+05 4.92128e+05 -3.92178e+06 1.17415e+04 Potential Pressure (bar) -3.26830e+06 -6.12169e+03 Step Time 681 681.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96965e+03 6.05278e+03 1.98998e+04 2.60382e+02 -1.01447e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18395e+03 1.17351e+05 4.92214e+05 -3.92199e+06 1.17383e+04 Potential Pressure (bar) -3.26833e+06 -6.12289e+03 Step Time 682 682.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97525e+03 6.03992e+03 1.99000e+04 2.60343e+02 -1.01470e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18653e+03 1.17345e+05 4.92287e+05 -3.92214e+06 1.17361e+04 Potential Pressure (bar) -3.26842e+06 -6.12015e+03 Step Time 683 683.00000 Step Time 684 684.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84208e+03 6.02794e+03 1.98998e+04 2.60322e+02 -1.01466e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18461e+03 1.17348e+05 4.92327e+05 -3.92224e+06 1.17341e+04 Potential Pressure (bar) -3.26863e+06 -6.12010e+03 Step Time 685 685.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04539e+03 6.04912e+03 1.98998e+04 2.60252e+02 -1.01505e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18580e+03 1.17342e+05 4.92597e+05 -3.92283e+06 1.17253e+04 Potential Pressure (bar) -3.26874e+06 -6.11714e+03 Step Time 686 686.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87079e+03 6.03369e+03 1.98995e+04 2.60224e+02 -1.01498e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18312e+03 1.17345e+05 4.92643e+05 -3.92295e+06 1.17230e+04 Potential Pressure (bar) -3.26901e+06 -6.11735e+03 Step Time 687 687.00000 Step Time 688 688.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87703e+03 6.02906e+03 1.98995e+04 2.60193e+02 -1.01514e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18437e+03 1.17342e+05 4.92718e+05 -3.92311e+06 1.17205e+04 Potential Pressure (bar) -3.26909e+06 -6.11549e+03 Step Time 689 689.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90421e+03 6.04025e+03 1.98993e+04 2.60184e+02 -1.01514e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18234e+03 1.17344e+05 4.92798e+05 -3.92330e+06 1.17176e+04 Potential Pressure (bar) -3.26917e+06 -6.11616e+03 Step Time 690 690.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92153e+03 6.03396e+03 1.98994e+04 2.60151e+02 -1.01533e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18424e+03 1.17340e+05 4.92874e+05 -3.92346e+06 1.17152e+04 Potential Pressure (bar) -3.26924e+06 -6.11385e+03 Step Time 691 691.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97052e+03 6.05357e+03 1.98991e+04 2.60157e+02 -1.01528e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18147e+03 1.17343e+05 4.92952e+05 -3.92364e+06 1.17125e+04 Potential Pressure (bar) -3.26929e+06 -6.11523e+03 Step Time 692 692.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01674e+03 6.04453e+03 1.98993e+04 2.60128e+02 -1.01552e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18431e+03 1.17337e+05 4.93030e+05 -3.92380e+06 1.17102e+04 Potential Pressure (bar) -3.26934e+06 -6.11236e+03 Step Time 693 693.00000 Step Time 694 694.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84146e+03 6.02716e+03 1.98991e+04 2.60100e+02 -1.01547e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18224e+03 1.17340e+05 4.93066e+05 -3.92390e+06 1.17082e+04 Potential Pressure (bar) -3.26959e+06 -6.11228e+03 Step Time 695 695.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.09558e+03 6.05558e+03 1.98989e+04 2.59984e+02 -1.01600e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18311e+03 1.17332e+05 4.93469e+05 -3.92478e+06 1.16949e+04 Potential Pressure (bar) -3.26980e+06 -6.10796e+03 Step Time 696 696.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86975e+03 6.03246e+03 1.98986e+04 2.59952e+02 -1.01593e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18026e+03 1.17336e+05 4.93512e+05 -3.92489e+06 1.16928e+04 Potential Pressure (bar) -3.27013e+06 -6.10819e+03 Step Time 697 697.00000 Step Time 698 698.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89368e+03 6.03064e+03 1.98987e+04 2.59933e+02 -1.01609e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18165e+03 1.17332e+05 4.93596e+05 -3.92507e+06 1.16900e+04 Potential Pressure (bar) -3.27020e+06 -6.10608e+03 Step Time 699 699.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90300e+03 6.03929e+03 1.98984e+04 2.59919e+02 -1.01608e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17951e+03 1.17335e+05 4.93667e+05 -3.92524e+06 1.16876e+04 Potential Pressure (bar) -3.27029e+06 -6.10696e+03 Step Time 700 700.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94840e+03 6.03675e+03 1.98985e+04 2.59893e+02 -1.01627e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18159e+03 1.17330e+05 4.93750e+05 -3.92541e+06 1.16850e+04 Potential Pressure (bar) -3.27034e+06 -6.10438e+03 Step Time 701 701.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97159e+03 6.05335e+03 1.98982e+04 2.59892e+02 -1.01623e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17862e+03 1.17334e+05 4.93820e+05 -3.92558e+06 1.16825e+04 Potential Pressure (bar) -3.27040e+06 -6.10610e+03 Step Time 702 702.00000 Step Time 703 703.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84331e+03 6.02544e+03 1.98983e+04 2.59852e+02 -1.01634e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.18005e+03 1.17331e+05 4.93860e+05 -3.92566e+06 1.16808e+04 Potential Pressure (bar) -3.27060e+06 -6.10344e+03 Step Time 704 704.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04364e+03 6.06366e+03 1.98978e+04 2.59774e+02 -1.01659e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17713e+03 1.17331e+05 4.94187e+05 -3.92640e+06 1.16700e+04 Potential Pressure (bar) -3.27079e+06 -6.10290e+03 Step Time 705 705.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86270e+03 6.02675e+03 1.98979e+04 2.59727e+02 -1.01675e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17923e+03 1.17326e+05 4.94233e+05 -3.92649e+06 1.16682e+04 Potential Pressure (bar) -3.27105e+06 -6.09930e+03 Step Time 706 706.00000 Step Time 707 707.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88790e+03 6.03518e+03 1.98977e+04 2.59710e+02 -1.01677e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17757e+03 1.17328e+05 4.94315e+05 -3.92668e+06 1.16653e+04 Potential Pressure (bar) -3.27113e+06 -6.09963e+03 Step Time 708 708.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88946e+03 6.02953e+03 1.98978e+04 2.59686e+02 -1.01693e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17905e+03 1.17324e+05 4.94387e+05 -3.92683e+06 1.16631e+04 Potential Pressure (bar) -3.27121e+06 -6.09751e+03 Step Time 709 709.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93229e+03 6.04398e+03 1.98975e+04 2.59672e+02 -1.01691e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17677e+03 1.17327e+05 4.94467e+05 -3.92702e+06 1.16603e+04 Potential Pressure (bar) -3.27127e+06 -6.09849e+03 Step Time 710 710.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94721e+03 6.03588e+03 1.98976e+04 2.59648e+02 -1.01711e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17904e+03 1.17322e+05 4.94541e+05 -3.92716e+06 1.16582e+04 Potential Pressure (bar) -3.27134e+06 -6.09582e+03 Step Time 711 711.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01996e+03 6.06194e+03 1.98973e+04 2.59653e+02 -1.01704e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17587e+03 1.17326e+05 4.94619e+05 -3.92735e+06 1.16554e+04 Potential Pressure (bar) -3.27135e+06 -6.09774e+03 Step Time 712 712.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07186e+03 6.04958e+03 1.98976e+04 2.59630e+02 -1.01730e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17925e+03 1.17319e+05 4.94695e+05 -3.92750e+06 1.16534e+04 Potential Pressure (bar) -3.27139e+06 -6.09440e+03 Step Time 713 713.00000 Step Time 714 714.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84706e+03 6.02741e+03 1.98973e+04 2.59593e+02 -1.01723e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17683e+03 1.17323e+05 4.94731e+05 -3.92759e+06 1.16513e+04 Potential Pressure (bar) -3.27170e+06 -6.09429e+03 Step Time 715 715.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.17831e+03 6.06525e+03 1.98971e+04 2.59519e+02 -1.01772e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17827e+03 1.17315e+05 4.95093e+05 -3.92837e+06 1.16401e+04 Potential Pressure (bar) -3.27176e+06 -6.09037e+03 Step Time 716 716.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88505e+03 6.03451e+03 1.98967e+04 2.59463e+02 -1.01763e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17494e+03 1.17320e+05 4.95135e+05 -3.92848e+06 1.16379e+04 Potential Pressure (bar) -3.27216e+06 -6.09059e+03 Step Time 717 717.00000 Step Time 718 718.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91291e+03 6.03218e+03 1.98968e+04 2.59445e+02 -1.01779e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17664e+03 1.17315e+05 4.95216e+05 -3.92865e+06 1.16353e+04 Potential Pressure (bar) -3.27222e+06 -6.08824e+03 Step Time 719 719.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92938e+03 6.04360e+03 1.98965e+04 2.59430e+02 -1.01777e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17418e+03 1.17319e+05 4.95286e+05 -3.92882e+06 1.16329e+04 Potential Pressure (bar) -3.27230e+06 -6.08945e+03 Step Time 720 720.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98449e+03 6.04016e+03 1.98967e+04 2.59413e+02 -1.01796e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17667e+03 1.17313e+05 4.95367e+05 -3.92898e+06 1.16306e+04 Potential Pressure (bar) -3.27233e+06 -6.08659e+03 Step Time 721 721.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02014e+03 6.06254e+03 1.98963e+04 2.59414e+02 -1.01790e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17326e+03 1.17318e+05 4.95437e+05 -3.92915e+06 1.16282e+04 Potential Pressure (bar) -3.27238e+06 -6.08873e+03 Step Time 722 722.00000 Step Time 723 723.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.84768e+03 6.02519e+03 1.98964e+04 2.59365e+02 -1.01802e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17496e+03 1.17314e+05 4.95476e+05 -3.92923e+06 1.16265e+04 Potential Pressure (bar) -3.27262e+06 -6.08558e+03 Step Time 724 724.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.11659e+03 6.07538e+03 1.98957e+04 2.59291e+02 -1.01827e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17171e+03 1.17316e+05 4.95820e+05 -3.92999e+06 1.16157e+04 Potential Pressure (bar) -3.27274e+06 -6.08539e+03 Step Time 725 725.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87207e+03 6.02698e+03 1.98959e+04 2.59238e+02 -1.01844e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17418e+03 1.17310e+05 4.95865e+05 -3.93007e+06 1.16138e+04 Potential Pressure (bar) -3.27308e+06 -6.08107e+03 Step Time 726 726.00000 Step Time 727 727.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90869e+03 6.03787e+03 1.98956e+04 2.59215e+02 -1.01844e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17229e+03 1.17312e+05 4.95948e+05 -3.93027e+06 1.16110e+04 Potential Pressure (bar) -3.27314e+06 -6.08164e+03 Step Time 728 728.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90701e+03 6.03073e+03 1.98957e+04 2.59197e+02 -1.01861e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17408e+03 1.17308e+05 4.96018e+05 -3.93040e+06 1.16090e+04 Potential Pressure (bar) -3.27322e+06 -6.07925e+03 Step Time 729 729.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96762e+03 6.04966e+03 1.98954e+04 2.59182e+02 -1.01857e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17147e+03 1.17311e+05 4.96098e+05 -3.93060e+06 1.16063e+04 Potential Pressure (bar) -3.27326e+06 -6.08061e+03 Step Time 730 730.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98313e+03 6.03915e+03 1.98955e+04 2.59169e+02 -1.01878e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17417e+03 1.17305e+05 4.96169e+05 -3.93073e+06 1.16043e+04 Potential Pressure (bar) -3.27332e+06 -6.07759e+03 Step Time 731 731.00000 Step Time 732 732.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85053e+03 6.02674e+03 1.98953e+04 2.59135e+02 -1.01874e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17221e+03 1.17308e+05 4.96207e+05 -3.93083e+06 1.16026e+04 Potential Pressure (bar) -3.27353e+06 -6.07769e+03 Step Time 733 733.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05133e+03 6.04842e+03 1.98951e+04 2.59066e+02 -1.01913e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17342e+03 1.17302e+05 4.96500e+05 -3.93145e+06 1.15937e+04 Potential Pressure (bar) -3.27365e+06 -6.07400e+03 Step Time 734 734.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87691e+03 6.03190e+03 1.98948e+04 2.59023e+02 -1.01906e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17071e+03 1.17306e+05 4.96544e+05 -3.93156e+06 1.15917e+04 Potential Pressure (bar) -3.27391e+06 -6.07439e+03 Step Time 735 735.00000 Step Time 736 736.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88740e+03 6.02848e+03 1.98948e+04 2.59010e+02 -1.01920e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17203e+03 1.17302e+05 4.96619e+05 -3.93171e+06 1.15894e+04 Potential Pressure (bar) -3.27398e+06 -6.07235e+03 Step Time 737 737.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90778e+03 6.03800e+03 1.98945e+04 2.58984e+02 -1.01919e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16999e+03 1.17305e+05 4.96692e+05 -3.93189e+06 1.15870e+04 Potential Pressure (bar) -3.27405e+06 -6.07310e+03 Step Time 738 738.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93117e+03 6.03337e+03 1.98946e+04 2.58972e+02 -1.01936e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17196e+03 1.17300e+05 4.96768e+05 -3.93204e+06 1.15848e+04 Potential Pressure (bar) -3.27412e+06 -6.07059e+03 Step Time 739 739.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96978e+03 6.05049e+03 1.98943e+04 2.58959e+02 -1.01932e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16916e+03 1.17304e+05 4.96840e+05 -3.93221e+06 1.15824e+04 Potential Pressure (bar) -3.27416e+06 -6.07215e+03 Step Time 740 740.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02410e+03 6.04367e+03 1.98945e+04 2.58948e+02 -1.01953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17211e+03 1.17298e+05 4.96917e+05 -3.93235e+06 1.15804e+04 Potential Pressure (bar) -3.27418e+06 -6.06899e+03 Step Time 741 741.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.09384e+03 6.07696e+03 1.98940e+04 2.58958e+02 -1.01944e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16819e+03 1.17304e+05 4.96988e+05 -3.93253e+06 1.15780e+04 Potential Pressure (bar) -3.27419e+06 -6.07169e+03 Step Time 742 742.00000 Step Time 743 743.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85099e+03 6.02493e+03 1.98942e+04 2.58898e+02 -1.01958e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.17016e+03 1.17299e+05 4.97025e+05 -3.93260e+06 1.15764e+04 Potential Pressure (bar) -3.27452e+06 -6.06785e+03 Step Time 744 744.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.23291e+03 6.09336e+03 1.98933e+04 2.58793e+02 -1.01985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16633e+03 1.17301e+05 4.97449e+05 -3.93353e+06 1.15634e+04 Potential Pressure (bar) -3.27459e+06 -6.06762e+03 Step Time 745 745.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87962e+03 6.02697e+03 1.98934e+04 2.58735e+02 -1.02007e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16920e+03 1.17295e+05 4.97491e+05 -3.93360e+06 1.15618e+04 Potential Pressure (bar) -3.27505e+06 -6.06236e+03 Step Time 746 746.00000 Step Time 747 747.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94309e+03 6.04284e+03 1.98931e+04 2.58720e+02 -1.02005e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16706e+03 1.17297e+05 4.97580e+05 -3.93381e+06 1.15587e+04 Potential Pressure (bar) -3.27509e+06 -6.06307e+03 Step Time 748 748.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92479e+03 6.03183e+03 1.98932e+04 2.58708e+02 -1.02024e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16920e+03 1.17293e+05 4.97645e+05 -3.93393e+06 1.15571e+04 Potential Pressure (bar) -3.27518e+06 -6.06048e+03 Step Time 749 749.00000 Step Time 750 750.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85565e+03 6.02656e+03 1.98930e+04 2.58681e+02 -1.02021e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16762e+03 1.17294e+05 4.97686e+05 -3.93403e+06 1.15554e+04 Potential Pressure (bar) -3.27531e+06 -6.06056e+03 Step Time 751 751.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96761e+03 6.03715e+03 1.98928e+04 2.58634e+02 -1.02049e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16875e+03 1.17290e+05 4.97884e+05 -3.93444e+06 1.15498e+04 Potential Pressure (bar) -3.27541e+06 -6.05772e+03 Step Time 752 752.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87620e+03 6.03077e+03 1.98926e+04 2.58599e+02 -1.02043e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16652e+03 1.17293e+05 4.97930e+05 -3.93456e+06 1.15478e+04 Potential Pressure (bar) -3.27558e+06 -6.05809e+03 Step Time 753 753.00000 Step Time 754 754.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87022e+03 6.02588e+03 1.98926e+04 2.58586e+02 -1.02056e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16756e+03 1.17290e+05 4.97994e+05 -3.93469e+06 1.15460e+04 Potential Pressure (bar) -3.27566e+06 -6.05639e+03 Step Time 755 755.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89959e+03 6.03521e+03 1.98923e+04 2.58555e+02 -1.02056e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16585e+03 1.17292e+05 4.98077e+05 -3.93487e+06 1.15433e+04 Potential Pressure (bar) -3.27573e+06 -6.05670e+03 Step Time 756 756.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89551e+03 6.02852e+03 1.98923e+04 2.58540e+02 -1.02072e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16741e+03 1.17288e+05 4.98143e+05 -3.93500e+06 1.15414e+04 Potential Pressure (bar) -3.27581e+06 -6.05454e+03 Step Time 757 757.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94475e+03 6.04408e+03 1.98920e+04 2.58520e+02 -1.02068e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16508e+03 1.17291e+05 4.98223e+05 -3.93519e+06 1.15388e+04 Potential Pressure (bar) -3.27585e+06 -6.05551e+03 Step Time 758 758.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95101e+03 6.03469e+03 1.98921e+04 2.58510e+02 -1.02088e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16743e+03 1.17286e+05 4.98292e+05 -3.93532e+06 1.15371e+04 Potential Pressure (bar) -3.27593e+06 -6.05280e+03 Step Time 759 759.00000 Step Time 760 760.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85502e+03 6.02594e+03 1.98919e+04 2.58481e+02 -1.02084e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16571e+03 1.17289e+05 4.98329e+05 -3.93541e+06 1.15354e+04 Potential Pressure (bar) -3.27608e+06 -6.05292e+03 Step Time 761 761.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00070e+03 6.04100e+03 1.98916e+04 2.58408e+02 -1.02119e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16676e+03 1.17283e+05 4.98596e+05 -3.93597e+06 1.15278e+04 Potential Pressure (bar) -3.27622e+06 -6.04932e+03 Step Time 762 762.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87548e+03 6.03000e+03 1.98913e+04 2.58378e+02 -1.02112e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16437e+03 1.17287e+05 4.98639e+05 -3.93608e+06 1.15259e+04 Potential Pressure (bar) -3.27643e+06 -6.04967e+03 Step Time 763 763.00000 Step Time 764 764.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88069e+03 6.02666e+03 1.98913e+04 2.58359e+02 -1.02125e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16549e+03 1.17284e+05 4.98711e+05 -3.93622e+06 1.15238e+04 Potential Pressure (bar) -3.27650e+06 -6.04779e+03 Step Time 765 765.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89929e+03 6.03465e+03 1.98911e+04 2.58337e+02 -1.02125e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16370e+03 1.17286e+05 4.98784e+05 -3.93639e+06 1.15215e+04 Potential Pressure (bar) -3.27657e+06 -6.04830e+03 Step Time 766 766.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91261e+03 6.03015e+03 1.98911e+04 2.58324e+02 -1.02141e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16539e+03 1.17282e+05 4.98857e+05 -3.93653e+06 1.15195e+04 Potential Pressure (bar) -3.27664e+06 -6.04599e+03 Step Time 767 767.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94681e+03 6.04407e+03 1.98908e+04 2.58303e+02 -1.02136e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16293e+03 1.17285e+05 4.98928e+05 -3.93670e+06 1.15173e+04 Potential Pressure (bar) -3.27669e+06 -6.04714e+03 Step Time 768 768.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98050e+03 6.03771e+03 1.98909e+04 2.58297e+02 -1.02157e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16546e+03 1.17280e+05 4.99001e+05 -3.93684e+06 1.15154e+04 Potential Pressure (bar) -3.27673e+06 -6.04429e+03 Step Time 769 769.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04171e+03 6.06374e+03 1.98905e+04 2.58290e+02 -1.02147e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16203e+03 1.17285e+05 4.99072e+05 -3.93700e+06 1.15132e+04 Potential Pressure (bar) -3.27674e+06 -6.04643e+03 Step Time 770 770.00000 Step Time 771 771.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85478e+03 6.02427e+03 1.98906e+04 2.58249e+02 -1.02161e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16374e+03 1.17281e+05 4.99109e+05 -3.93707e+06 1.15117e+04 Potential Pressure (bar) -3.27700e+06 -6.04325e+03 Step Time 772 772.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.14807e+03 6.07613e+03 1.98895e+04 2.58115e+02 -1.02191e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16017e+03 1.17281e+05 4.99567e+05 -3.93806e+06 1.14982e+04 Potential Pressure (bar) -3.27720e+06 -6.04150e+03 Step Time 773 773.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87506e+03 6.02540e+03 1.98897e+04 2.58079e+02 -1.02212e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16264e+03 1.17276e+05 4.99608e+05 -3.93813e+06 1.14969e+04 Potential Pressure (bar) -3.27756e+06 -6.03715e+03 Step Time 774 774.00000 Step Time 775 775.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92773e+03 6.03844e+03 1.98894e+04 2.58054e+02 -1.02210e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16073e+03 1.17278e+05 4.99698e+05 -3.93833e+06 1.14940e+04 Potential Pressure (bar) -3.27761e+06 -6.03749e+03 Step Time 776 776.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90768e+03 6.02883e+03 1.98894e+04 2.58044e+02 -1.02228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16258e+03 1.17274e+05 4.99760e+05 -3.93845e+06 1.14925e+04 Potential Pressure (bar) -3.27770e+06 -6.03518e+03 Step Time 777 777.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98997e+03 6.05096e+03 1.98891e+04 2.58024e+02 -1.02221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15994e+03 1.17277e+05 4.99843e+05 -3.93864e+06 1.14899e+04 Potential Pressure (bar) -3.27770e+06 -6.03639e+03 Step Time 778 778.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98030e+03 6.03688e+03 1.98892e+04 2.58019e+02 -1.02245e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16270e+03 1.17272e+05 4.99908e+05 -3.93876e+06 1.14884e+04 Potential Pressure (bar) -3.27779e+06 -6.03344e+03 Step Time 779 779.00000 Step Time 780 780.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86178e+03 6.02635e+03 1.98890e+04 2.57984e+02 -1.02238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16071e+03 1.17275e+05 4.99946e+05 -3.93885e+06 1.14866e+04 Potential Pressure (bar) -3.27797e+06 -6.03350e+03 Step Time 781 781.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04712e+03 6.04550e+03 1.98887e+04 2.57944e+02 -1.02270e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16225e+03 1.17270e+05 5.00166e+05 -3.93930e+06 1.14809e+04 Potential Pressure (bar) -3.27800e+06 -6.03050e+03 Step Time 782 782.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89096e+03 6.03218e+03 1.98884e+04 2.57901e+02 -1.02260e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15948e+03 1.17273e+05 5.00208e+05 -3.93941e+06 1.14790e+04 Potential Pressure (bar) -3.27824e+06 -6.03081e+03 Step Time 783 783.00000 Step Time 784 784.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89019e+03 6.02680e+03 1.98884e+04 2.57889e+02 -1.02275e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16083e+03 1.17270e+05 5.00275e+05 -3.93954e+06 1.14772e+04 Potential Pressure (bar) -3.27831e+06 -6.02885e+03 Step Time 785 785.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92457e+03 6.03864e+03 1.98881e+04 2.57864e+02 -1.02272e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15877e+03 1.17273e+05 5.00350e+05 -3.93971e+06 1.14749e+04 Potential Pressure (bar) -3.27837e+06 -6.02952e+03 Step Time 786 786.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93134e+03 6.03135e+03 1.98882e+04 2.57856e+02 -1.02290e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16079e+03 1.17268e+05 5.00419e+05 -3.93984e+06 1.14732e+04 Potential Pressure (bar) -3.27843e+06 -6.02706e+03 Step Time 787 787.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99046e+03 6.05182e+03 1.98879e+04 2.57836e+02 -1.02283e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15796e+03 1.17272e+05 5.00492e+05 -3.94001e+06 1.14709e+04 Potential Pressure (bar) -3.27845e+06 -6.02852e+03 Step Time 788 788.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02066e+03 6.04129e+03 1.98880e+04 2.57831e+02 -1.02306e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16097e+03 1.17266e+05 5.00562e+05 -3.94014e+06 1.14693e+04 Potential Pressure (bar) -3.27849e+06 -6.02542e+03 Step Time 789 789.00000 Step Time 790 790.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86032e+03 6.02545e+03 1.98877e+04 2.57792e+02 -1.02300e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15884e+03 1.17269e+05 5.00596e+05 -3.94022e+06 1.14676e+04 Potential Pressure (bar) -3.27872e+06 -6.02543e+03 Step Time 791 791.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.09776e+03 6.05181e+03 1.98873e+04 2.57728e+02 -1.02341e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.16019e+03 1.17263e+05 5.00911e+05 -3.94087e+06 1.14593e+04 Potential Pressure (bar) -3.27881e+06 -6.02141e+03 Step Time 792 792.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88901e+03 6.03088e+03 1.98870e+04 2.57676e+02 -1.02331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15725e+03 1.17268e+05 5.00951e+05 -3.94097e+06 1.14574e+04 Potential Pressure (bar) -3.27910e+06 -6.02171e+03 Step Time 793 793.00000 Step Time 794 794.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90626e+03 6.02827e+03 1.98870e+04 2.57666e+02 -1.02346e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15873e+03 1.17264e+05 5.01025e+05 -3.94112e+06 1.14554e+04 Potential Pressure (bar) -3.27916e+06 -6.01958e+03 Step Time 795 795.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92274e+03 6.03762e+03 1.98867e+04 2.57638e+02 -1.02342e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15655e+03 1.17267e+05 5.01092e+05 -3.94127e+06 1.14535e+04 Potential Pressure (bar) -3.27922e+06 -6.02041e+03 Step Time 796 796.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95778e+03 6.03406e+03 1.98868e+04 2.57634e+02 -1.02360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15874e+03 1.17262e+05 5.01167e+05 -3.94141e+06 1.14516e+04 Potential Pressure (bar) -3.27926e+06 -6.01776e+03 Step Time 797 797.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99133e+03 6.05157e+03 1.98864e+04 2.57610e+02 -1.02353e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15573e+03 1.17267e+05 5.01232e+05 -3.94157e+06 1.14496e+04 Potential Pressure (bar) -3.27930e+06 -6.01947e+03 Step Time 798 798.00000 Step Time 799 799.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.85993e+03 6.02347e+03 1.98865e+04 2.57588e+02 -1.02364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15723e+03 1.17263e+05 5.01269e+05 -3.94163e+06 1.14484e+04 Potential Pressure (bar) -3.27949e+06 -6.01680e+03 Step Time 800 800.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06424e+03 6.06111e+03 1.98856e+04 2.57479e+02 -1.02386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15426e+03 1.17264e+05 5.01620e+05 -3.94238e+06 1.14386e+04 Potential Pressure (bar) -3.27965e+06 -6.01543e+03 Step Time 801 801.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87692e+03 6.02447e+03 1.98857e+04 2.57461e+02 -1.02404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15644e+03 1.17260e+05 5.01661e+05 -3.94245e+06 1.14374e+04 Potential Pressure (bar) -3.27992e+06 -6.01178e+03 Step Time 802 802.00000 Step Time 803 803.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90807e+03 6.03331e+03 1.98855e+04 2.57432e+02 -1.02402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15476e+03 1.17261e+05 5.01742e+05 -3.94263e+06 1.14349e+04 Potential Pressure (bar) -3.27998e+06 -6.01207e+03 Step Time 804 804.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90177e+03 6.02704e+03 1.98855e+04 2.57426e+02 -1.02418e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15635e+03 1.17258e+05 5.01805e+05 -3.94275e+06 1.14334e+04 Potential Pressure (bar) -3.28005e+06 -6.00992e+03 Step Time 805 805.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95262e+03 6.04209e+03 1.98852e+04 2.57396e+02 -1.02413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15402e+03 1.17261e+05 5.01882e+05 -3.94292e+06 1.14311e+04 Potential Pressure (bar) -3.28008e+06 -6.01086e+03 Step Time 806 806.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95620e+03 6.03306e+03 1.98853e+04 2.57398e+02 -1.02433e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15639e+03 1.17256e+05 5.01947e+05 -3.94304e+06 1.14296e+04 Potential Pressure (bar) -3.28015e+06 -6.00810e+03 Step Time 807 807.00000 Step Time 808 808.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86352e+03 6.02467e+03 1.98851e+04 2.57361e+02 -1.02428e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15468e+03 1.17258e+05 5.01983e+05 -3.94313e+06 1.14282e+04 Potential Pressure (bar) -3.28030e+06 -6.00824e+03 Step Time 809 809.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00577e+03 6.03954e+03 1.98848e+04 2.57321e+02 -1.02461e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15582e+03 1.17253e+05 5.02232e+05 -3.94363e+06 1.14218e+04 Potential Pressure (bar) -3.28041e+06 -6.00465e+03 Step Time 810 810.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88384e+03 6.02866e+03 1.98845e+04 2.57268e+02 -1.02453e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15342e+03 1.17257e+05 5.02273e+05 -3.94374e+06 1.14202e+04 Potential Pressure (bar) -3.28060e+06 -6.00503e+03 Step Time 811 811.00000 Step Time 812 812.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88806e+03 6.02531e+03 1.98845e+04 2.57262e+02 -1.02466e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15457e+03 1.17254e+05 5.02342e+05 -3.94387e+06 1.14184e+04 Potential Pressure (bar) -3.28067e+06 -6.00317e+03 Step Time 813 813.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90755e+03 6.03323e+03 1.98842e+04 2.57227e+02 -1.02464e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15277e+03 1.17256e+05 5.02411e+05 -3.94403e+06 1.14164e+04 Potential Pressure (bar) -3.28073e+06 -6.00367e+03 Step Time 814 814.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91933e+03 6.02873e+03 1.98843e+04 2.57227e+02 -1.02480e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15450e+03 1.17252e+05 5.02480e+05 -3.94416e+06 1.14148e+04 Potential Pressure (bar) -3.28080e+06 -6.00136e+03 Step Time 815 815.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95472e+03 6.04253e+03 1.98840e+04 2.57193e+02 -1.02474e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15203e+03 1.17256e+05 5.02549e+05 -3.94432e+06 1.14127e+04 Potential Pressure (bar) -3.28084e+06 -6.00252e+03 Step Time 816 816.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98603e+03 6.03619e+03 1.98841e+04 2.57205e+02 -1.02495e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15460e+03 1.17250e+05 5.02619e+05 -3.94444e+06 1.14112e+04 Potential Pressure (bar) -3.28087e+06 -5.99964e+03 Step Time 817 817.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04881e+03 6.06200e+03 1.98837e+04 2.57179e+02 -1.02484e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15115e+03 1.17256e+05 5.02686e+05 -3.94460e+06 1.14091e+04 Potential Pressure (bar) -3.28087e+06 -6.00176e+03 Step Time 818 818.00000 Step Time 819 819.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86279e+03 6.02290e+03 1.98838e+04 2.57155e+02 -1.02498e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15290e+03 1.17252e+05 5.02720e+05 -3.94467e+06 1.14079e+04 Potential Pressure (bar) -3.28113e+06 -5.99861e+03 Step Time 820 820.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.15438e+03 6.07387e+03 1.98828e+04 2.57011e+02 -1.02524e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14935e+03 1.17253e+05 5.03172e+05 -3.94561e+06 1.13959e+04 Potential Pressure (bar) -3.28130e+06 -5.99662e+03 Step Time 821 821.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88234e+03 6.02390e+03 1.98829e+04 2.56991e+02 -1.02545e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15186e+03 1.17248e+05 5.03212e+05 -3.94568e+06 1.13947e+04 Potential Pressure (bar) -3.28166e+06 -5.99233e+03 Step Time 822 822.00000 Step Time 823 823.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93578e+03 6.03677e+03 1.98827e+04 2.56962e+02 -1.02542e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14997e+03 1.17249e+05 5.03298e+05 -3.94587e+06 1.13921e+04 Potential Pressure (bar) -3.28169e+06 -5.99268e+03 Step Time 824 824.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91433e+03 6.02727e+03 1.98827e+04 2.56967e+02 -1.02560e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15185e+03 1.17246e+05 5.03358e+05 -3.94598e+06 1.13910e+04 Potential Pressure (bar) -3.28178e+06 -5.99034e+03 Step Time 825 825.00000 Step Time 826 826.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86816e+03 6.02419e+03 1.98825e+04 2.56938e+02 -1.02557e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15046e+03 1.17247e+05 5.03397e+05 -3.94607e+06 1.13896e+04 Potential Pressure (bar) -3.28188e+06 -5.99042e+03 Step Time 827 827.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94516e+03 6.03090e+03 1.98824e+04 2.56910e+02 -1.02580e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15150e+03 1.17244e+05 5.03562e+05 -3.94640e+06 1.13855e+04 Potential Pressure (bar) -3.28197e+06 -5.98775e+03 Step Time 828 828.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88433e+03 6.02748e+03 1.98822e+04 2.56872e+02 -1.02574e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14955e+03 1.17246e+05 5.03607e+05 -3.94650e+06 1.13839e+04 Potential Pressure (bar) -3.28209e+06 -5.98804e+03 Step Time 829 829.00000 Step Time 830 830.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87617e+03 6.02304e+03 1.98822e+04 2.56863e+02 -1.02585e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15044e+03 1.17244e+05 5.03664e+05 -3.94661e+06 1.13825e+04 Potential Pressure (bar) -3.28216e+06 -5.98652e+03 Step Time 831 831.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90243e+03 6.03089e+03 1.98819e+04 2.56831e+02 -1.02585e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14894e+03 1.17246e+05 5.03744e+05 -3.94679e+06 1.13803e+04 Potential Pressure (bar) -3.28223e+06 -5.98657e+03 Step Time 832 832.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89387e+03 6.02476e+03 1.98819e+04 2.56829e+02 -1.02599e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15031e+03 1.17243e+05 5.03805e+05 -3.94690e+06 1.13789e+04 Potential Pressure (bar) -3.28230e+06 -5.98462e+03 Step Time 833 833.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93706e+03 6.03755e+03 1.98817e+04 2.56795e+02 -1.02595e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14826e+03 1.17245e+05 5.03881e+05 -3.94708e+06 1.13767e+04 Potential Pressure (bar) -3.28234e+06 -5.98524e+03 Step Time 834 834.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93325e+03 6.02906e+03 1.98818e+04 2.56800e+02 -1.02614e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.15030e+03 1.17241e+05 5.03944e+05 -3.94719e+06 1.13754e+04 Potential Pressure (bar) -3.28241e+06 -5.98277e+03 Step Time 835 835.00000 Step Time 836 836.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86766e+03 6.02353e+03 1.98816e+04 2.56767e+02 -1.02609e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14881e+03 1.17243e+05 5.03980e+05 -3.94727e+06 1.13741e+04 Potential Pressure (bar) -3.28252e+06 -5.98287e+03 Step Time 837 837.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96935e+03 6.03345e+03 1.98814e+04 2.56730e+02 -1.02638e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14983e+03 1.17239e+05 5.04198e+05 -3.94771e+06 1.13688e+04 Potential Pressure (bar) -3.28264e+06 -5.97958e+03 Step Time 838 838.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88383e+03 6.02670e+03 1.98811e+04 2.56692e+02 -1.02631e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14773e+03 1.17241e+05 5.04239e+05 -3.94781e+06 1.13673e+04 Potential Pressure (bar) -3.28279e+06 -5.97991e+03 Step Time 839 839.00000 Step Time 840 840.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88372e+03 6.02334e+03 1.98811e+04 2.56684e+02 -1.02644e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14871e+03 1.17239e+05 5.04303e+05 -3.94793e+06 1.13657e+04 Potential Pressure (bar) -3.28286e+06 -5.97824e+03 Step Time 841 841.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90240e+03 6.03026e+03 1.98809e+04 2.56650e+02 -1.02642e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14714e+03 1.17241e+05 5.04374e+05 -3.94809e+06 1.13638e+04 Potential Pressure (bar) -3.28292e+06 -5.97847e+03 Step Time 842 842.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90625e+03 6.02571e+03 1.98809e+04 2.56650e+02 -1.02657e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14862e+03 1.17238e+05 5.04439e+05 -3.94821e+06 1.13623e+04 Potential Pressure (bar) -3.28298e+06 -5.97639e+03 Step Time 843 843.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93900e+03 6.03740e+03 1.98807e+04 2.56618e+02 -1.02653e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14645e+03 1.17240e+05 5.04508e+05 -3.94836e+06 1.13604e+04 Potential Pressure (bar) -3.28302e+06 -5.97723e+03 Step Time 844 844.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95469e+03 6.03110e+03 1.98808e+04 2.56623e+02 -1.02671e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14866e+03 1.17236e+05 5.04574e+05 -3.94849e+06 1.13590e+04 Potential Pressure (bar) -3.28307e+06 -5.97462e+03 Step Time 845 845.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01158e+03 6.05205e+03 1.98804e+04 2.56592e+02 -1.02662e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14565e+03 1.17240e+05 5.04641e+05 -3.94864e+06 1.13571e+04 Potential Pressure (bar) -3.28308e+06 -5.97629e+03 Step Time 846 846.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05874e+03 6.04266e+03 1.98806e+04 2.56609e+02 -1.02686e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14894e+03 1.17234e+05 5.04709e+05 -3.94876e+06 1.13559e+04 Potential Pressure (bar) -3.28310e+06 -5.97304e+03 Step Time 847 847.00000 Step Time 848 848.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86900e+03 6.02338e+03 1.98804e+04 2.56561e+02 -1.02679e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14665e+03 1.17237e+05 5.04741e+05 -3.94884e+06 1.13543e+04 Potential Pressure (bar) -3.28336e+06 -5.97303e+03 Step Time 849 849.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.14739e+03 6.05550e+03 1.98801e+04 2.56511e+02 -1.02722e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14815e+03 1.17230e+05 5.05083e+05 -3.94953e+06 1.13464e+04 Potential Pressure (bar) -3.28341e+06 -5.96852e+03 Step Time 850 850.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90005e+03 6.02902e+03 1.98797e+04 2.56444e+02 -1.02711e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14499e+03 1.17235e+05 5.05119e+05 -3.94962e+06 1.13446e+04 Potential Pressure (bar) -3.28374e+06 -5.96883e+03 Step Time 851 851.00000 Step Time 852 852.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92538e+03 6.02756e+03 1.98798e+04 2.56446e+02 -1.02726e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14663e+03 1.17231e+05 5.05193e+05 -3.94976e+06 1.13430e+04 Potential Pressure (bar) -3.28378e+06 -5.96656e+03 Step Time 853 853.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93667e+03 6.03645e+03 1.98795e+04 2.56415e+02 -1.02721e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14433e+03 1.17235e+05 5.05254e+05 -3.94990e+06 1.13413e+04 Potential Pressure (bar) -3.28384e+06 -5.96760e+03 Step Time 854 854.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98562e+03 6.03433e+03 1.98796e+04 2.56422e+02 -1.02740e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14674e+03 1.17229e+05 5.05327e+05 -3.95003e+06 1.13398e+04 Potential Pressure (bar) -3.28386e+06 -5.96481e+03 Step Time 855 855.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01214e+03 6.05200e+03 1.98793e+04 2.56395e+02 -1.02732e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14352e+03 1.17235e+05 5.05388e+05 -3.95017e+06 1.13381e+04 Potential Pressure (bar) -3.28390e+06 -5.96672e+03 Step Time 856 856.00000 Step Time 857 857.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.86995e+03 6.02145e+03 1.98794e+04 2.56374e+02 -1.02744e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14516e+03 1.17231e+05 5.05422e+05 -3.95024e+06 1.13370e+04 Potential Pressure (bar) -3.28410e+06 -5.96383e+03 Step Time 858 858.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.09102e+03 6.06287e+03 1.98788e+04 2.56294e+02 -1.02759e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14227e+03 1.17233e+05 5.05708e+05 -3.95083e+06 1.13302e+04 Potential Pressure (bar) -3.28415e+06 -5.96338e+03 Step Time 859 859.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89084e+03 6.02298e+03 1.98789e+04 2.56286e+02 -1.02776e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14466e+03 1.17228e+05 5.05747e+05 -3.95089e+06 1.13290e+04 Potential Pressure (bar) -3.28442e+06 -5.95943e+03 Step Time 860 860.00000 Step Time 861 861.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91905e+03 6.03165e+03 1.98787e+04 2.56250e+02 -1.02774e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14290e+03 1.17230e+05 5.05819e+05 -3.95105e+06 1.13270e+04 Potential Pressure (bar) -3.28447e+06 -5.95991e+03 Step Time 862 862.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92021e+03 6.02611e+03 1.98787e+04 2.56254e+02 -1.02790e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14465e+03 1.17226e+05 5.05882e+05 -3.95117e+06 1.13258e+04 Potential Pressure (bar) -3.28454e+06 -5.95759e+03 Step Time 863 863.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96772e+03 6.04127e+03 1.98784e+04 2.56220e+02 -1.02785e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14220e+03 1.17230e+05 5.05951e+05 -3.95132e+06 1.13239e+04 Potential Pressure (bar) -3.28456e+06 -5.95878e+03 Step Time 864 864.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98385e+03 6.03322e+03 1.98786e+04 2.56236e+02 -1.02805e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14478e+03 1.17224e+05 5.06015e+05 -3.95144e+06 1.13227e+04 Potential Pressure (bar) -3.28461e+06 -5.95588e+03 Step Time 865 865.00000 Step Time 866 866.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87167e+03 6.02249e+03 1.98784e+04 2.56193e+02 -1.02800e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14296e+03 1.17227e+05 5.06048e+05 -3.95152e+06 1.13214e+04 Potential Pressure (bar) -3.28478e+06 -5.95601e+03 Step Time 867 867.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04100e+03 6.04103e+03 1.98781e+04 2.56156e+02 -1.02837e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14419e+03 1.17221e+05 5.06325e+05 -3.95207e+06 1.13152e+04 Potential Pressure (bar) -3.28487e+06 -5.95194e+03 Step Time 868 868.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89323e+03 6.02660e+03 1.98779e+04 2.56101e+02 -1.02829e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14164e+03 1.17225e+05 5.06363e+05 -3.95216e+06 1.13137e+04 Potential Pressure (bar) -3.28509e+06 -5.95240e+03 Step Time 869 869.00000 Step Time 870 870.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90353e+03 6.02407e+03 1.98779e+04 2.56098e+02 -1.02843e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14292e+03 1.17222e+05 5.06431e+05 -3.95229e+06 1.13122e+04 Potential Pressure (bar) -3.28515e+06 -5.95041e+03 Step Time 871 871.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91864e+03 6.03161e+03 1.98776e+04 2.56070e+02 -1.02840e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14103e+03 1.17225e+05 5.06494e+05 -3.95243e+06 1.13106e+04 Potential Pressure (bar) -3.28520e+06 -5.95108e+03 Step Time 872 872.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94041e+03 6.02819e+03 1.98777e+04 2.56075e+02 -1.02857e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14293e+03 1.17221e+05 5.06562e+05 -3.95256e+06 1.13091e+04 Potential Pressure (bar) -3.28525e+06 -5.94862e+03 Step Time 873 873.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97005e+03 6.04188e+03 1.98774e+04 2.56043e+02 -1.02851e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14030e+03 1.17225e+05 5.06625e+05 -3.95270e+06 1.13075e+04 Potential Pressure (bar) -3.28529e+06 -5.95000e+03 Step Time 874 874.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01825e+03 6.03692e+03 1.98776e+04 2.56060e+02 -1.02872e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14313e+03 1.17219e+05 5.06693e+05 -3.95282e+06 1.13062e+04 Potential Pressure (bar) -3.28530e+06 -5.94694e+03 Step Time 875 875.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07351e+03 6.06361e+03 1.98772e+04 2.56033e+02 -1.02861e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13946e+03 1.17224e+05 5.06755e+05 -3.95297e+06 1.13046e+04 Potential Pressure (bar) -3.28530e+06 -5.94939e+03 Step Time 876 876.00000 Step Time 877 877.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87245e+03 6.02092e+03 1.98773e+04 2.56012e+02 -1.02876e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14135e+03 1.17220e+05 5.06788e+05 -3.95302e+06 1.13034e+04 Potential Pressure (bar) -3.28557e+06 -5.94590e+03 Step Time 878 878.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.18620e+03 6.07770e+03 1.98765e+04 2.55914e+02 -1.02897e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13800e+03 1.17222e+05 5.07139e+05 -3.95375e+06 1.12953e+04 Potential Pressure (bar) -3.28559e+06 -5.94541e+03 Step Time 879 879.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89682e+03 6.02271e+03 1.98767e+04 2.55903e+02 -1.02920e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14075e+03 1.17217e+05 5.07177e+05 -3.95381e+06 1.12943e+04 Potential Pressure (bar) -3.28596e+06 -5.94065e+03 Step Time 880 880.00000 Step Time 881 881.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94702e+03 6.03555e+03 1.98764e+04 2.55874e+02 -1.02917e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13875e+03 1.17219e+05 5.07254e+05 -3.95398e+06 1.12922e+04 Potential Pressure (bar) -3.28599e+06 -5.94131e+03 Step Time 882 882.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93446e+03 6.02680e+03 1.98765e+04 2.55884e+02 -1.02936e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14081e+03 1.17215e+05 5.07312e+05 -3.95408e+06 1.12912e+04 Potential Pressure (bar) -3.28606e+06 -5.93879e+03 Step Time 883 883.00000 Step Time 884 884.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87567e+03 6.02219e+03 1.98763e+04 2.55852e+02 -1.02933e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13933e+03 1.17217e+05 5.07347e+05 -3.95416e+06 1.12900e+04 Potential Pressure (bar) -3.28617e+06 -5.93895e+03 Step Time 885 885.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97023e+03 6.03124e+03 1.98762e+04 2.55829e+02 -1.02961e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.14048e+03 1.17213e+05 5.07531e+05 -3.95452e+06 1.12862e+04 Potential Pressure (bar) -3.28625e+06 -5.93590e+03 Step Time 886 886.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89245e+03 6.02562e+03 1.98759e+04 2.55789e+02 -1.02956e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13840e+03 1.17216e+05 5.07571e+05 -3.95462e+06 1.12847e+04 Potential Pressure (bar) -3.28639e+06 -5.93633e+03 Step Time 887 887.00000 Step Time 888 888.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88865e+03 6.02173e+03 1.98759e+04 2.55788e+02 -1.02969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13941e+03 1.17213e+05 5.07630e+05 -3.95473e+06 1.12835e+04 Potential Pressure (bar) -3.28645e+06 -5.93464e+03 Step Time 889 889.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91161e+03 6.02928e+03 1.98757e+04 2.55758e+02 -1.02969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13783e+03 1.17215e+05 5.07700e+05 -3.95488e+06 1.12817e+04 Potential Pressure (bar) -3.28650e+06 -5.93492e+03 Step Time 890 890.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90989e+03 6.02398e+03 1.98758e+04 2.55761e+02 -1.02985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13935e+03 1.17212e+05 5.07760e+05 -3.95499e+06 1.12805e+04 Potential Pressure (bar) -3.28657e+06 -5.93282e+03 Step Time 891 891.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94887e+03 6.03655e+03 1.98755e+04 2.55727e+02 -1.02982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13719e+03 1.17214e+05 5.07828e+05 -3.95514e+06 1.12788e+04 Potential Pressure (bar) -3.28660e+06 -5.93369e+03 Step Time 892 892.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95627e+03 6.02917e+03 1.98756e+04 2.55739e+02 -1.03003e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13945e+03 1.17210e+05 5.07890e+05 -3.95525e+06 1.12777e+04 Potential Pressure (bar) -3.28665e+06 -5.93105e+03 Step Time 893 893.00000 Step Time 894 894.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87524e+03 6.02168e+03 1.98754e+04 2.55707e+02 -1.02999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13786e+03 1.17212e+05 5.07922e+05 -3.95533e+06 1.12766e+04 Potential Pressure (bar) -3.28678e+06 -5.93123e+03 Step Time 895 895.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99796e+03 6.03453e+03 1.98751e+04 2.55674e+02 -1.03039e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13891e+03 1.17207e+05 5.08173e+05 -3.95582e+06 1.12712e+04 Potential Pressure (bar) -3.28690e+06 -5.92736e+03 Step Time 896 896.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89198e+03 6.02504e+03 1.98749e+04 2.55629e+02 -1.03032e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13671e+03 1.17211e+05 5.08211e+05 -3.95592e+06 1.12699e+04 Potential Pressure (bar) -3.28707e+06 -5.92781e+03 Step Time 897 897.00000 Step Time 898 898.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89742e+03 6.02242e+03 1.98749e+04 2.55629e+02 -1.03047e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13780e+03 1.17208e+05 5.08276e+05 -3.95604e+06 1.12685e+04 Potential Pressure (bar) -3.28713e+06 -5.92595e+03 Step Time 899 899.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91160e+03 6.02890e+03 1.98746e+04 2.55603e+02 -1.03047e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13615e+03 1.17210e+05 5.08338e+05 -3.95617e+06 1.12670e+04 Potential Pressure (bar) -3.28718e+06 -5.92642e+03 Step Time 900 900.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92427e+03 6.02540e+03 1.98747e+04 2.55604e+02 -1.03065e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13778e+03 1.17206e+05 5.08403e+05 -3.95630e+06 1.12657e+04 Potential Pressure (bar) -3.28723e+06 -5.92418e+03 Step Time 901 901.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95099e+03 6.03671e+03 1.98744e+04 2.55575e+02 -1.03062e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13549e+03 1.17210e+05 5.08465e+05 -3.95644e+06 1.12641e+04 Potential Pressure (bar) -3.28728e+06 -5.92524e+03 Step Time 902 902.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98112e+03 6.03182e+03 1.98745e+04 2.55594e+02 -1.03083e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13792e+03 1.17204e+05 5.08530e+05 -3.95655e+06 1.12630e+04 Potential Pressure (bar) -3.28730e+06 -5.92246e+03 Step Time 903 903.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03005e+03 6.05294e+03 1.98742e+04 2.55559e+02 -1.03076e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13472e+03 1.17209e+05 5.08592e+05 -3.95670e+06 1.12613e+04 Potential Pressure (bar) -3.28732e+06 -5.92445e+03 Step Time 904 904.00000 Step Time 905 905.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87533e+03 6.02046e+03 1.98742e+04 2.55549e+02 -1.03090e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13637e+03 1.17206e+05 5.08624e+05 -3.95675e+06 1.12604e+04 Potential Pressure (bar) -3.28752e+06 -5.92154e+03 Step Time 906 906.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.11613e+03 6.06371e+03 1.98734e+04 2.55455e+02 -1.03128e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13327e+03 1.17207e+05 5.09000e+05 -3.95751e+06 1.12521e+04 Potential Pressure (bar) -3.28764e+06 -5.91989e+03 Step Time 907 907.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89262e+03 6.02155e+03 1.98735e+04 2.55449e+02 -1.03149e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13567e+03 1.17202e+05 5.09036e+05 -3.95757e+06 1.12513e+04 Potential Pressure (bar) -3.28793e+06 -5.91591e+03 Step Time 908 908.00000 Step Time 909 909.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93443e+03 6.03220e+03 1.98733e+04 2.55419e+02 -1.03150e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13392e+03 1.17204e+05 5.09114e+05 -3.95774e+06 1.12493e+04 Potential Pressure (bar) -3.28797e+06 -5.91630e+03 Step Time 910 910.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91980e+03 6.02447e+03 1.98733e+04 2.55429e+02 -1.03170e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13570e+03 1.17200e+05 5.09169e+05 -3.95784e+06 1.12484e+04 Potential Pressure (bar) -3.28804e+06 -5.91401e+03 Step Time 911 911.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98591e+03 6.04250e+03 1.98730e+04 2.55397e+02 -1.03166e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13325e+03 1.17203e+05 5.09241e+05 -3.95800e+06 1.12465e+04 Potential Pressure (bar) -3.28805e+06 -5.91514e+03 Step Time 912 912.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98016e+03 6.03123e+03 1.98732e+04 2.55421e+02 -1.03191e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13588e+03 1.17199e+05 5.09299e+05 -3.95809e+06 1.12458e+04 Potential Pressure (bar) -3.28811e+06 -5.91229e+03 Step Time 913 913.00000 Step Time 914 914.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88066e+03 6.02231e+03 1.98730e+04 2.55382e+02 -1.03186e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13405e+03 1.17201e+05 5.09332e+05 -3.95817e+06 1.12444e+04 Potential Pressure (bar) -3.28826e+06 -5.91243e+03 Step Time 915 915.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03604e+03 6.03854e+03 1.98728e+04 2.55367e+02 -1.03228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13559e+03 1.17196e+05 5.09532e+05 -3.95857e+06 1.12407e+04 Potential Pressure (bar) -3.28829e+06 -5.90926e+03 Step Time 916 916.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90465e+03 6.02717e+03 1.98725e+04 2.55319e+02 -1.03219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13301e+03 1.17200e+05 5.09569e+05 -3.95866e+06 1.12392e+04 Potential Pressure (bar) -3.28849e+06 -5.90974e+03 Step Time 917 917.00000 Step Time 918 918.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90512e+03 6.02289e+03 1.98725e+04 2.55324e+02 -1.03236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13431e+03 1.17197e+05 5.09629e+05 -3.95877e+06 1.12381e+04 Potential Pressure (bar) -3.28854e+06 -5.90782e+03 Step Time 919 919.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93240e+03 6.03252e+03 1.98723e+04 2.55294e+02 -1.03236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13243e+03 1.17199e+05 5.09694e+05 -3.95891e+06 1.12365e+04 Potential Pressure (bar) -3.28859e+06 -5.90846e+03 Step Time 920 920.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93960e+03 6.02675e+03 1.98723e+04 2.55306e+02 -1.03257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13437e+03 1.17195e+05 5.09755e+05 -3.95901e+06 1.12354e+04 Potential Pressure (bar) -3.28863e+06 -5.90607e+03 Step Time 921 921.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98704e+03 6.04340e+03 1.98720e+04 2.55278e+02 -1.03253e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13175e+03 1.17199e+05 5.09818e+05 -3.95916e+06 1.12339e+04 Potential Pressure (bar) -3.28865e+06 -5.90745e+03 Step Time 922 922.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01408e+03 6.03516e+03 1.98722e+04 2.55300e+02 -1.03280e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13461e+03 1.17193e+05 5.09880e+05 -3.95926e+06 1.12330e+04 Potential Pressure (bar) -3.28868e+06 -5.90445e+03 Step Time 923 923.00000 Step Time 924 924.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87960e+03 6.02177e+03 1.98720e+04 2.55258e+02 -1.03275e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13264e+03 1.17196e+05 5.09910e+05 -3.95934e+06 1.12318e+04 Potential Pressure (bar) -3.28887e+06 -5.90458e+03 Step Time 925 925.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07890e+03 6.04414e+03 1.98716e+04 2.55236e+02 -1.03331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13406e+03 1.17190e+05 5.10200e+05 -3.95991e+06 1.12261e+04 Potential Pressure (bar) -3.28894e+06 -5.90028e+03 Step Time 926 926.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90326e+03 6.02636e+03 1.98714e+04 2.55179e+02 -1.03325e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13132e+03 1.17195e+05 5.10235e+05 -3.96000e+06 1.12246e+04 Potential Pressure (bar) -3.28919e+06 -5.90080e+03 Step Time 927 927.00000 Step Time 928 928.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91875e+03 6.02437e+03 1.98714e+04 2.55181e+02 -1.03343e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13274e+03 1.17191e+05 5.10302e+05 -3.96012e+06 1.12233e+04 Potential Pressure (bar) -3.28924e+06 -5.89870e+03 Step Time 929 929.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93127e+03 6.03202e+03 1.98712e+04 2.55151e+02 -1.03343e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13075e+03 1.17194e+05 5.10359e+05 -3.96025e+06 1.12220e+04 Potential Pressure (bar) -3.28929e+06 -5.89954e+03 Step Time 930 930.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96205e+03 6.02930e+03 1.98712e+04 2.55167e+02 -1.03365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13284e+03 1.17189e+05 5.10425e+05 -3.96036e+06 1.12209e+04 Potential Pressure (bar) -3.28931e+06 -5.89695e+03 Step Time 931 931.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98856e+03 6.04361e+03 1.98709e+04 2.55135e+02 -1.03361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13004e+03 1.17194e+05 5.10483e+05 -3.96050e+06 1.12194e+04 Potential Pressure (bar) -3.28935e+06 -5.89859e+03 Step Time 932 932.00000 Step Time 933 933.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.87958e+03 6.02039e+03 1.98710e+04 2.55131e+02 -1.03375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13148e+03 1.17191e+05 5.10514e+05 -3.96055e+06 1.12186e+04 Potential Pressure (bar) -3.28951e+06 -5.89609e+03 Step Time 934 934.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04845e+03 6.05190e+03 1.98704e+04 2.55056e+02 -1.03412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12894e+03 1.17192e+05 5.10804e+05 -3.96114e+06 1.12125e+04 Potential Pressure (bar) -3.28961e+06 -5.89490e+03 Step Time 935 935.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89409e+03 6.02136e+03 1.98705e+04 2.55058e+02 -1.03432e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13102e+03 1.17188e+05 5.10841e+05 -3.96120e+06 1.12118e+04 Potential Pressure (bar) -3.28982e+06 -5.89158e+03 Step Time 936 936.00000 Step Time 937 937.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91883e+03 6.02870e+03 1.98703e+04 2.55026e+02 -1.03435e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12950e+03 1.17189e+05 5.10910e+05 -3.96135e+06 1.12101e+04 Potential Pressure (bar) -3.28987e+06 -5.89187e+03 Step Time 938 938.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91496e+03 6.02359e+03 1.98703e+04 2.55036e+02 -1.03454e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13101e+03 1.17186e+05 5.10967e+05 -3.96145e+06 1.12092e+04 Potential Pressure (bar) -3.28993e+06 -5.88977e+03 Step Time 939 939.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95583e+03 6.03600e+03 1.98701e+04 2.55003e+02 -1.03454e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12888e+03 1.17189e+05 5.11032e+05 -3.96160e+06 1.12076e+04 Potential Pressure (bar) -3.28996e+06 -5.89068e+03 Step Time 940 940.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96049e+03 6.02872e+03 1.98702e+04 2.55022e+02 -1.03477e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13114e+03 1.17184e+05 5.11090e+05 -3.96170e+06 1.12067e+04 Potential Pressure (bar) -3.29000e+06 -5.88805e+03 Step Time 941 941.00000 Step Time 942 942.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88226e+03 6.02163e+03 1.98700e+04 2.54990e+02 -1.03475e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12956e+03 1.17186e+05 5.11122e+05 -3.96177e+06 1.12057e+04 Potential Pressure (bar) -3.29013e+06 -5.88824e+03 Step Time 943 943.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00221e+03 6.03424e+03 1.98698e+04 2.54976e+02 -1.03522e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.13074e+03 1.17182e+05 5.11350e+05 -3.96222e+06 1.12012e+04 Potential Pressure (bar) -3.29023e+06 -5.88458e+03 Step Time 944 944.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89907e+03 6.02502e+03 1.98696e+04 2.54930e+02 -1.03518e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12853e+03 1.17185e+05 5.11386e+05 -3.96230e+06 1.12001e+04 Potential Pressure (bar) -3.29039e+06 -5.88508e+03 Step Time 945 945.00000 Step Time 946 946.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90346e+03 6.02233e+03 1.98696e+04 2.54932e+02 -1.03535e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12964e+03 1.17182e+05 5.11447e+05 -3.96242e+06 1.11990e+04 Potential Pressure (bar) -3.29044e+06 -5.88329e+03 Step Time 947 947.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91872e+03 6.02888e+03 1.98694e+04 2.54902e+02 -1.03537e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12800e+03 1.17184e+05 5.11507e+05 -3.96255e+06 1.11976e+04 Potential Pressure (bar) -3.29049e+06 -5.88376e+03 Step Time 948 948.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92981e+03 6.02526e+03 1.98695e+04 2.54913e+02 -1.03557e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12966e+03 1.17181e+05 5.11568e+05 -3.96266e+06 1.11966e+04 Potential Pressure (bar) -3.29054e+06 -5.88157e+03 Step Time 949 949.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95802e+03 6.03665e+03 1.98692e+04 2.54884e+02 -1.03556e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12738e+03 1.17184e+05 5.11628e+05 -3.96279e+06 1.11952e+04 Potential Pressure (bar) -3.29057e+06 -5.88264e+03 Step Time 950 950.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98575e+03 6.03160e+03 1.98694e+04 2.54904e+02 -1.03580e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12983e+03 1.17179e+05 5.11689e+05 -3.96290e+06 1.11943e+04 Potential Pressure (bar) -3.29060e+06 -5.87988e+03 Step Time 951 951.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03674e+03 6.05279e+03 1.98691e+04 2.54873e+02 -1.03574e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12664e+03 1.17184e+05 5.11748e+05 -3.96303e+06 1.11928e+04 Potential Pressure (bar) -3.29060e+06 -5.88190e+03 Step Time 952 952.00000 Step Time 953 953.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88198e+03 6.02044e+03 1.98692e+04 2.54865e+02 -1.03589e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12831e+03 1.17180e+05 5.11779e+05 -3.96308e+06 1.11920e+04 Potential Pressure (bar) -3.29081e+06 -5.87902e+03 Step Time 954 954.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.12280e+03 6.06314e+03 1.98685e+04 2.54768e+02 -1.03639e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12528e+03 1.17181e+05 5.12151e+05 -3.96384e+06 1.11845e+04 Potential Pressure (bar) -3.29093e+06 -5.87736e+03 Step Time 955 955.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89870e+03 6.02147e+03 1.98687e+04 2.54771e+02 -1.03661e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12769e+03 1.17177e+05 5.12185e+05 -3.96390e+06 1.11838e+04 Potential Pressure (bar) -3.29122e+06 -5.87340e+03 Step Time 956 956.00000 Step Time 957 957.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94167e+03 6.03211e+03 1.98685e+04 2.54743e+02 -1.03664e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12595e+03 1.17179e+05 5.12260e+05 -3.96406e+06 1.11820e+04 Potential Pressure (bar) -3.29125e+06 -5.87381e+03 Step Time 958 958.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92540e+03 6.02435e+03 1.98686e+04 2.54757e+02 -1.03684e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12775e+03 1.17175e+05 5.12312e+05 -3.96415e+06 1.11814e+04 Potential Pressure (bar) -3.29132e+06 -5.87156e+03 Step Time 959 959.00000 Step Time 960 960.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88618e+03 6.02171e+03 1.98684e+04 2.54731e+02 -1.03684e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12647e+03 1.17177e+05 5.12346e+05 -3.96422e+06 1.11803e+04 Potential Pressure (bar) -3.29140e+06 -5.87169e+03 Step Time 961 961.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95116e+03 6.02746e+03 1.98684e+04 2.54717e+02 -1.03717e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12753e+03 1.17173e+05 5.12496e+05 -3.96451e+06 1.11777e+04 Potential Pressure (bar) -3.29147e+06 -5.86903e+03 Step Time 962 962.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89950e+03 6.02450e+03 1.98682e+04 2.54685e+02 -1.03714e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12573e+03 1.17176e+05 5.12534e+05 -3.96460e+06 1.11765e+04 Potential Pressure (bar) -3.29158e+06 -5.86942e+03 Step Time 963 963.00000 Step Time 964 964.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89339e+03 6.02090e+03 1.98682e+04 2.54686e+02 -1.03728e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12661e+03 1.17173e+05 5.12586e+05 -3.96470e+06 1.11756e+04 Potential Pressure (bar) -3.29164e+06 -5.86796e+03 Step Time 965 965.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91448e+03 6.02734e+03 1.98681e+04 2.54654e+02 -1.03733e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12525e+03 1.17175e+05 5.12655e+05 -3.96484e+06 1.11741e+04 Potential Pressure (bar) -3.29169e+06 -5.86804e+03 Step Time 966 966.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90831e+03 6.02239e+03 1.98682e+04 2.54663e+02 -1.03750e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12656e+03 1.17172e+05 5.12708e+05 -3.96495e+06 1.11732e+04 Potential Pressure (bar) -3.29175e+06 -5.86622e+03 Step Time 967 967.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94316e+03 6.03292e+03 1.98680e+04 2.54630e+02 -1.03751e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12469e+03 1.17174e+05 5.12774e+05 -3.96509e+06 1.11717e+04 Potential Pressure (bar) -3.29178e+06 -5.86682e+03 Step Time 968 968.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94129e+03 6.02604e+03 1.98681e+04 2.54646e+02 -1.03772e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12664e+03 1.17171e+05 5.12829e+05 -3.96518e+06 1.11710e+04 Potential Pressure (bar) -3.29183e+06 -5.86446e+03 Step Time 969 969.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99916e+03 6.04403e+03 1.98678e+04 2.54612e+02 -1.03768e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12404e+03 1.17174e+05 5.12892e+05 -3.96532e+06 1.11695e+04 Potential Pressure (bar) -3.29183e+06 -5.86583e+03 Step Time 970 970.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01340e+03 6.03418e+03 1.98680e+04 2.54642e+02 -1.03794e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12691e+03 1.17169e+05 5.12950e+05 -3.96542e+06 1.11688e+04 Potential Pressure (bar) -3.29187e+06 -5.86289e+03 Step Time 971 971.00000 Step Time 972 972.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88728e+03 6.02187e+03 1.98679e+04 2.54599e+02 -1.03790e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12494e+03 1.17171e+05 5.12978e+05 -3.96549e+06 1.11676e+04 Potential Pressure (bar) -3.29206e+06 -5.86305e+03 Step Time 973 973.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07795e+03 6.04285e+03 1.98678e+04 2.54589e+02 -1.03838e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12655e+03 1.17166e+05 5.13213e+05 -3.96594e+06 1.11637e+04 Potential Pressure (bar) -3.29207e+06 -5.85946e+03 Step Time 974 974.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91210e+03 6.02671e+03 1.98676e+04 2.54530e+02 -1.03831e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12382e+03 1.17170e+05 5.13247e+05 -3.96603e+06 1.11623e+04 Potential Pressure (bar) -3.29230e+06 -5.85998e+03 Step Time 975 975.00000 Step Time 976 976.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92216e+03 6.02379e+03 1.98677e+04 2.54539e+02 -1.03849e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12525e+03 1.17167e+05 5.13307e+05 -3.96614e+06 1.11613e+04 Potential Pressure (bar) -3.29235e+06 -5.85795e+03 Step Time 977 977.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94129e+03 6.03245e+03 1.98675e+04 2.54506e+02 -1.03849e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12327e+03 1.17170e+05 5.13364e+05 -3.96626e+06 1.11600e+04 Potential Pressure (bar) -3.29239e+06 -5.85882e+03 Step Time 978 978.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96386e+03 6.02851e+03 1.98676e+04 2.54524e+02 -1.03869e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12537e+03 1.17165e+05 5.13424e+05 -3.96637e+06 1.11591e+04 Potential Pressure (bar) -3.29242e+06 -5.85630e+03 Step Time 979 979.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00006e+03 6.04427e+03 1.98674e+04 2.54489e+02 -1.03865e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12260e+03 1.17169e+05 5.13481e+05 -3.96650e+06 1.11579e+04 Potential Pressure (bar) -3.29244e+06 -5.85793e+03 Step Time 980 980.00000 Step Time 981 981.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88558e+03 6.02012e+03 1.98675e+04 2.54488e+02 -1.03878e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12404e+03 1.17166e+05 5.13511e+05 -3.96655e+06 1.11571e+04 Potential Pressure (bar) -3.29260e+06 -5.85552e+03 Step Time 982 982.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06268e+03 6.05220e+03 1.98671e+04 2.54388e+02 -1.03921e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12139e+03 1.17167e+05 5.13847e+05 -3.96724e+06 1.11505e+04 Potential Pressure (bar) -3.29275e+06 -5.85365e+03 Step Time 983 983.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89850e+03 6.02081e+03 1.98673e+04 2.54396e+02 -1.03939e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12349e+03 1.17163e+05 5.13882e+05 -3.96729e+06 1.11499e+04 Potential Pressure (bar) -3.29297e+06 -5.85033e+03 Step Time 984 984.00000 Step Time 985 985.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92920e+03 6.02891e+03 1.98671e+04 2.54367e+02 -1.03942e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12197e+03 1.17165e+05 5.13951e+05 -3.96744e+06 1.11483e+04 Potential Pressure (bar) -3.29301e+06 -5.85056e+03 Step Time 986 986.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91838e+03 6.02286e+03 1.98672e+04 2.54377e+02 -1.03960e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12351e+03 1.17161e+05 5.14003e+05 -3.96753e+06 1.11478e+04 Potential Pressure (bar) -3.29307e+06 -5.84853e+03 Step Time 987 987.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96735e+03 6.03644e+03 1.98671e+04 2.54338e+02 -1.03958e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12139e+03 1.17164e+05 5.14068e+05 -3.96768e+06 1.11462e+04 Potential Pressure (bar) -3.29309e+06 -5.84943e+03 Step Time 988 988.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96236e+03 6.02776e+03 1.98672e+04 2.54366e+02 -1.03980e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12366e+03 1.17160e+05 5.14122e+05 -3.96777e+06 1.11456e+04 Potential Pressure (bar) -3.29314e+06 -5.84686e+03 Step Time 989 989.00000 Step Time 990 990.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88986e+03 6.02146e+03 1.98671e+04 2.54328e+02 -1.03977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12208e+03 1.17162e+05 5.14152e+05 -3.96784e+06 1.11445e+04 Potential Pressure (bar) -3.29326e+06 -5.84706e+03 Step Time 991 991.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00338e+03 6.03298e+03 1.98671e+04 2.54316e+02 -1.04015e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12341e+03 1.17158e+05 5.14338e+05 -3.96820e+06 1.11415e+04 Potential Pressure (bar) -3.29332e+06 -5.84396e+03 Step Time 992 992.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90769e+03 6.02504e+03 1.98670e+04 2.54271e+02 -1.04009e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12120e+03 1.17161e+05 5.14373e+05 -3.96828e+06 1.11403e+04 Potential Pressure (bar) -3.29347e+06 -5.84446e+03 Step Time 993 993.00000 Step Time 994 994.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90769e+03 6.02159e+03 1.98670e+04 2.54276e+02 -1.04024e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12231e+03 1.17158e+05 5.14428e+05 -3.96838e+06 1.11394e+04 Potential Pressure (bar) -3.29352e+06 -5.84275e+03 Step Time 995 995.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92830e+03 6.02900e+03 1.98669e+04 2.54245e+02 -1.04024e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12069e+03 1.17160e+05 5.14488e+05 -3.96851e+06 1.11381e+04 Potential Pressure (bar) -3.29356e+06 -5.84323e+03 Step Time 996 996.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93291e+03 6.02434e+03 1.98670e+04 2.54257e+02 -1.04043e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12236e+03 1.17157e+05 5.14544e+05 -3.96861e+06 1.11374e+04 Potential Pressure (bar) -3.29361e+06 -5.84108e+03 Step Time 997 997.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96889e+03 6.03697e+03 1.98669e+04 2.54218e+02 -1.04039e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12009e+03 1.17160e+05 5.14603e+05 -3.96874e+06 1.11360e+04 Potential Pressure (bar) -3.29364e+06 -5.84219e+03 Step Time 998 998.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98723e+03 6.03048e+03 1.98670e+04 2.54243e+02 -1.04062e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12255e+03 1.17155e+05 5.14660e+05 -3.96884e+06 1.11354e+04 Potential Pressure (bar) -3.29367e+06 -5.83947e+03 Step Time 999 999.00000 Step Time 1000 1000.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.88937e+03 6.02092e+03 1.98669e+04 2.54207e+02 -1.04058e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12087e+03 1.17157e+05 5.14688e+05 -3.96891e+06 1.11343e+04 Potential Pressure (bar) -3.29381e+06 -5.83971e+03 Step Time 1001 1001.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03509e+03 6.03688e+03 1.98669e+04 2.54174e+02 -1.04107e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12208e+03 1.17152e+05 5.14955e+05 -3.96943e+06 1.11298e+04 Potential Pressure (bar) -3.29391e+06 -5.83556e+03 Step Time 1002 1002.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90703e+03 6.02429e+03 1.98667e+04 2.54125e+02 -1.04100e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11973e+03 1.17156e+05 5.14987e+05 -3.96951e+06 1.11287e+04 Potential Pressure (bar) -3.29411e+06 -5.83608e+03 Step Time 1003 1003.00000 Step Time 1004 1004.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91794e+03 6.02246e+03 1.98668e+04 2.54131e+02 -1.04116e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12094e+03 1.17153e+05 5.15049e+05 -3.96962e+06 1.11276e+04 Potential Pressure (bar) -3.29415e+06 -5.83422e+03 Step Time 1005 1005.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92800e+03 6.02845e+03 1.98667e+04 2.54100e+02 -1.04115e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11922e+03 1.17155e+05 5.15102e+05 -3.96974e+06 1.11266e+04 Potential Pressure (bar) -3.29420e+06 -5.83484e+03 Step Time 1006 1006.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94961e+03 6.02601e+03 1.98668e+04 2.54113e+02 -1.04133e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12102e+03 1.17151e+05 5.15162e+05 -3.96984e+06 1.11256e+04 Potential Pressure (bar) -3.29423e+06 -5.83258e+03 Step Time 1007 1007.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97078e+03 6.03697e+03 1.98666e+04 2.54077e+02 -1.04129e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11861e+03 1.17155e+05 5.15216e+05 -3.96997e+06 1.11244e+04 Potential Pressure (bar) -3.29426e+06 -5.83386e+03 Step Time 1008 1008.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01595e+03 6.03351e+03 1.98668e+04 2.54102e+02 -1.04152e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.12125e+03 1.17149e+05 5.15276e+05 -3.97007e+06 1.11238e+04 Potential Pressure (bar) -3.29427e+06 -5.83102e+03 Step Time 1009 1009.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05749e+03 6.05494e+03 1.98666e+04 2.54061e+02 -1.04143e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11787e+03 1.17155e+05 5.15330e+05 -3.97019e+06 1.11225e+04 Potential Pressure (bar) -3.29428e+06 -5.83330e+03 Step Time 1010 1010.00000 Step Time 1011 1011.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89087e+03 6.01973e+03 1.98667e+04 2.54059e+02 -1.04157e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11965e+03 1.17151e+05 5.15359e+05 -3.97024e+06 1.11217e+04 Potential Pressure (bar) -3.29450e+06 -5.83017e+03 Step Time 1012 1012.00000 Step Time 1013 1013.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94357e+03 6.03023e+03 1.98666e+04 2.54006e+02 -1.04170e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11813e+03 1.17152e+05 5.15498e+05 -3.97053e+06 1.11189e+04 Potential Pressure (bar) -3.29459e+06 -5.82963e+03 Step Time 1014 1014.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89864e+03 6.02004e+03 1.98667e+04 2.54010e+02 -1.04184e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11942e+03 1.17149e+05 5.15536e+05 -3.97060e+06 1.11185e+04 Potential Pressure (bar) -3.29468e+06 -5.82767e+03 Step Time 1015 1015.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98024e+03 6.03743e+03 1.98665e+04 2.53971e+02 -1.04187e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11755e+03 1.17152e+05 5.15635e+05 -3.97080e+06 1.11166e+04 Potential Pressure (bar) -3.29468e+06 -5.82818e+03 Step Time 1016 1016.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92130e+03 6.02231e+03 1.98667e+04 2.53985e+02 -1.04205e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11946e+03 1.17148e+05 5.15677e+05 -3.97087e+06 1.11160e+04 Potential Pressure (bar) -3.29479e+06 -5.82561e+03 Step Time 1017 1017.00000 Step Time 1018 1018.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90176e+03 6.02272e+03 1.98665e+04 2.53953e+02 -1.04204e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11811e+03 1.17149e+05 5.15716e+05 -3.97096e+06 1.11149e+04 Potential Pressure (bar) -3.29486e+06 -5.82592e+03 Step Time 1019 1019.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94535e+03 6.02502e+03 1.98666e+04 2.53960e+02 -1.04223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11942e+03 1.17146e+05 5.15801e+05 -3.97112e+06 1.11138e+04 Potential Pressure (bar) -3.29489e+06 -5.82388e+03 Step Time 1020 1020.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92252e+03 6.02681e+03 1.98665e+04 2.53919e+02 -1.04219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11751e+03 1.17149e+05 5.15844e+05 -3.97122e+06 1.11126e+04 Potential Pressure (bar) -3.29497e+06 -5.82454e+03 Step Time 1021 1021.00000 Step Time 1022 1022.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89442e+03 6.01952e+03 1.98665e+04 2.53923e+02 -1.04230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11848e+03 1.17147e+05 5.15880e+05 -3.97128e+06 1.11121e+04 Potential Pressure (bar) -3.29503e+06 -5.82304e+03 Step Time 1023 1023.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94415e+03 6.03066e+03 1.98664e+04 2.53882e+02 -1.04237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11696e+03 1.17148e+05 5.15985e+05 -3.97150e+06 1.11100e+04 Potential Pressure (bar) -3.29509e+06 -5.82292e+03 Step Time 1024 1024.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90616e+03 6.02052e+03 1.98665e+04 2.53891e+02 -1.04251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11838e+03 1.17145e+05 5.16026e+05 -3.97157e+06 1.11095e+04 Potential Pressure (bar) -3.29517e+06 -5.82091e+03 Step Time 1025 1025.00000 Step Time 1026 1026.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89832e+03 6.02165e+03 1.98665e+04 2.53865e+02 -1.04252e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11735e+03 1.17146e+05 5.16067e+05 -3.97166e+06 1.11085e+04 Potential Pressure (bar) -3.29523e+06 -5.82101e+03 Step Time 1027 1027.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91892e+03 6.02183e+03 1.98665e+04 2.53867e+02 -1.04268e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11828e+03 1.17144e+05 5.16146e+05 -3.97181e+06 1.11074e+04 Potential Pressure (bar) -3.29527e+06 -5.81921e+03 Step Time 1028 1028.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91086e+03 6.02416e+03 1.98664e+04 2.53835e+02 -1.04267e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11684e+03 1.17146e+05 5.16190e+05 -3.97191e+06 1.11063e+04 Potential Pressure (bar) -3.29534e+06 -5.81963e+03 Step Time 1029 1029.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94412e+03 6.02462e+03 1.98665e+04 2.53844e+02 -1.04285e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11829e+03 1.17143e+05 5.16259e+05 -3.97203e+06 1.11054e+04 Potential Pressure (bar) -3.29536e+06 -5.81759e+03 Step Time 1030 1030.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93783e+03 6.02949e+03 1.98663e+04 2.53804e+02 -1.04280e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11626e+03 1.17146e+05 5.16306e+05 -3.97214e+06 1.11042e+04 Potential Pressure (bar) -3.29542e+06 -5.81843e+03 Step Time 1031 1031.00000 Step Time 1032 1032.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89336e+03 6.01923e+03 1.98664e+04 2.53810e+02 -1.04291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11730e+03 1.17143e+05 5.16339e+05 -3.97220e+06 1.11037e+04 Potential Pressure (bar) -3.29550e+06 -5.81679e+03 Step Time 1033 1033.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96547e+03 6.03416e+03 1.98663e+04 2.53756e+02 -1.04301e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11559e+03 1.17144e+05 5.16486e+05 -3.97250e+06 1.11009e+04 Potential Pressure (bar) -3.29558e+06 -5.81633e+03 Step Time 1034 1034.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90404e+03 6.01999e+03 1.98664e+04 2.53762e+02 -1.04317e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11713e+03 1.17141e+05 5.16522e+05 -3.97256e+06 1.11004e+04 Potential Pressure (bar) -3.29568e+06 -5.81412e+03 Step Time 1035 1035.00000 Step Time 1036 1036.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90558e+03 6.02270e+03 1.98663e+04 2.53740e+02 -1.04317e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11601e+03 1.17143e+05 5.16572e+05 -3.97266e+06 1.10993e+04 Potential Pressure (bar) -3.29573e+06 -5.81425e+03 Step Time 1037 1037.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91681e+03 6.02128e+03 1.98664e+04 2.53741e+02 -1.04332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11707e+03 1.17140e+05 5.16634e+05 -3.97278e+06 1.10985e+04 Potential Pressure (bar) -3.29578e+06 -5.81255e+03 Step Time 1038 1038.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92244e+03 6.02600e+03 1.98663e+04 2.53707e+02 -1.04330e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11551e+03 1.17142e+05 5.16685e+05 -3.97289e+06 1.10973e+04 Potential Pressure (bar) -3.29583e+06 -5.81299e+03 Step Time 1039 1039.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94304e+03 6.02416e+03 1.98663e+04 2.53721e+02 -1.04348e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11711e+03 1.17139e+05 5.16745e+05 -3.97300e+06 1.10966e+04 Potential Pressure (bar) -3.29586e+06 -5.81097e+03 Step Time 1040 1040.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95697e+03 6.03279e+03 1.98662e+04 2.53685e+02 -1.04342e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11493e+03 1.17142e+05 5.16796e+05 -3.97311e+06 1.10953e+04 Potential Pressure (bar) -3.29590e+06 -5.81194e+03 Step Time 1041 1041.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99749e+03 6.03034e+03 1.98664e+04 2.53710e+02 -1.04365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11729e+03 1.17137e+05 5.16855e+05 -3.97322e+06 1.10949e+04 Potential Pressure (bar) -3.29591e+06 -5.80943e+03 Step Time 1042 1042.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02732e+03 6.04708e+03 1.98662e+04 2.53666e+02 -1.04353e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11423e+03 1.17141e+05 5.16907e+05 -3.97333e+06 1.10935e+04 Potential Pressure (bar) -3.29593e+06 -5.81123e+03 Step Time 1043 1043.00000 Step Time 1044 1044.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89417e+03 6.01909e+03 1.98663e+04 2.53668e+02 -1.04368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11584e+03 1.17138e+05 5.16936e+05 -3.97338e+06 1.10929e+04 Potential Pressure (bar) -3.29611e+06 -5.80859e+03 Step Time 1045 1045.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.10160e+03 6.05785e+03 1.98661e+04 2.53590e+02 -1.04386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11320e+03 1.17140e+05 5.17187e+05 -3.97390e+06 1.10884e+04 Potential Pressure (bar) -3.29613e+06 -5.80820e+03 Step Time 1046 1046.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91260e+03 6.02037e+03 1.98662e+04 2.53598e+02 -1.04406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11555e+03 1.17135e+05 5.17220e+05 -3.97395e+06 1.10879e+04 Potential Pressure (bar) -3.29638e+06 -5.80458e+03 Step Time 1047 1047.00000 Step Time 1048 1048.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94121e+03 6.02885e+03 1.98661e+04 2.53565e+02 -1.04404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11390e+03 1.17137e+05 5.17280e+05 -3.97408e+06 1.10865e+04 Potential Pressure (bar) -3.29641e+06 -5.80502e+03 Step Time 1049 1049.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93901e+03 6.02321e+03 1.98662e+04 2.53581e+02 -1.04422e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11563e+03 1.17134e+05 5.17332e+05 -3.97417e+06 1.10862e+04 Potential Pressure (bar) -3.29647e+06 -5.80297e+03 Step Time 1050 1050.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98641e+03 6.03776e+03 1.98661e+04 2.53542e+02 -1.04414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11331e+03 1.17137e+05 5.17390e+05 -3.97430e+06 1.10847e+04 Potential Pressure (bar) -3.29647e+06 -5.80408e+03 Step Time 1051 1051.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99653e+03 6.02967e+03 1.98662e+04 2.53571e+02 -1.04439e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11587e+03 1.17132e+05 5.17444e+05 -3.97439e+06 1.10844e+04 Potential Pressure (bar) -3.29651e+06 -5.80144e+03 Step Time 1052 1052.00000 Step Time 1053 1053.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89640e+03 6.02022e+03 1.98661e+04 2.53531e+02 -1.04432e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11412e+03 1.17134e+05 5.17471e+05 -3.97445e+06 1.10832e+04 Potential Pressure (bar) -3.29666e+06 -5.80162e+03 Step Time 1054 1054.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04847e+03 6.03663e+03 1.98662e+04 2.53516e+02 -1.04470e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11553e+03 1.17130e+05 5.17686e+05 -3.97487e+06 1.10801e+04 Potential Pressure (bar) -3.29670e+06 -5.79819e+03 Step Time 1055 1055.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91643e+03 6.02413e+03 1.98660e+04 2.53464e+02 -1.04460e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11310e+03 1.17133e+05 5.17717e+05 -3.97495e+06 1.10788e+04 Potential Pressure (bar) -3.29689e+06 -5.79868e+03 Step Time 1056 1056.00000 Step Time 1057 1057.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92409e+03 6.02137e+03 1.98661e+04 2.53471e+02 -1.04475e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11438e+03 1.17130e+05 5.17774e+05 -3.97505e+06 1.10781e+04 Potential Pressure (bar) -3.29693e+06 -5.79687e+03 Step Time 1058 1058.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94004e+03 6.02874e+03 1.98660e+04 2.53440e+02 -1.04471e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11260e+03 1.17133e+05 5.17826e+05 -3.97517e+06 1.10769e+04 Potential Pressure (bar) -3.29698e+06 -5.79758e+03 Step Time 1059 1059.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95727e+03 6.02509e+03 1.98661e+04 2.53455e+02 -1.04489e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11448e+03 1.17129e+05 5.17882e+05 -3.97526e+06 1.10764e+04 Potential Pressure (bar) -3.29700e+06 -5.79538e+03 Step Time 1060 1060.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98756e+03 6.03817e+03 1.98660e+04 2.53419e+02 -1.04481e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11199e+03 1.17133e+05 5.17935e+05 -3.97538e+06 1.10751e+04 Potential Pressure (bar) -3.29703e+06 -5.79670e+03 Step Time 1061 1061.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02757e+03 6.03301e+03 1.98661e+04 2.53448e+02 -1.04505e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11476e+03 1.17127e+05 5.17991e+05 -3.97547e+06 1.10747e+04 Potential Pressure (bar) -3.29703e+06 -5.79386e+03 Step Time 1062 1062.00000 Step Time 1063 1063.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89596e+03 6.01955e+03 1.98660e+04 2.53407e+02 -1.04498e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11288e+03 1.17130e+05 5.18016e+05 -3.97554e+06 1.10736e+04 Potential Pressure (bar) -3.29722e+06 -5.79406e+03 Step Time 1064 1064.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08643e+03 6.04153e+03 1.98661e+04 2.53360e+02 -1.04548e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11411e+03 1.17124e+05 5.18355e+05 -3.97620e+06 1.10684e+04 Potential Pressure (bar) -3.29734e+06 -5.78903e+03 Step Time 1065 1065.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91592e+03 6.02307e+03 1.98659e+04 2.53303e+02 -1.04539e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11151e+03 1.17128e+05 5.18384e+05 -3.97628e+06 1.10673e+04 Potential Pressure (bar) -3.29757e+06 -5.78959e+03 Step Time 1066 1066.00000 Step Time 1067 1067.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93661e+03 6.02243e+03 1.98660e+04 2.53308e+02 -1.04554e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11290e+03 1.17125e+05 5.18446e+05 -3.97639e+06 1.10664e+04 Potential Pressure (bar) -3.29761e+06 -5.78758e+03 Step Time 1068 1068.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93960e+03 6.02797e+03 1.98659e+04 2.53283e+02 -1.04550e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11102e+03 1.17128e+05 5.18493e+05 -3.97650e+06 1.10654e+04 Potential Pressure (bar) -3.29766e+06 -5.78846e+03 Step Time 1069 1069.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97772e+03 6.02707e+03 1.98661e+04 2.53300e+02 -1.04568e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11304e+03 1.17123e+05 5.18553e+05 -3.97660e+06 1.10648e+04 Potential Pressure (bar) -3.29767e+06 -5.78601e+03 Step Time 1070 1070.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98931e+03 6.03802e+03 1.98659e+04 2.53266e+02 -1.04560e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11039e+03 1.17127e+05 5.18602e+05 -3.97671e+06 1.10636e+04 Potential Pressure (bar) -3.29771e+06 -5.78762e+03 Step Time 1071 1071.00000 Step Time 1072 1072.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89802e+03 6.01827e+03 1.98660e+04 2.53265e+02 -1.04572e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11177e+03 1.17124e+05 5.18631e+05 -3.97676e+06 1.10630e+04 Potential Pressure (bar) -3.29784e+06 -5.78530e+03 Step Time 1073 1073.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04005e+03 6.04571e+03 1.98659e+04 2.53210e+02 -1.04584e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10958e+03 1.17126e+05 5.18828e+05 -3.97716e+06 1.10597e+04 Potential Pressure (bar) -3.29788e+06 -5.78513e+03 Step Time 1074 1074.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91314e+03 6.01936e+03 1.98660e+04 2.53216e+02 -1.04600e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11158e+03 1.17122e+05 5.18861e+05 -3.97722e+06 1.10591e+04 Potential Pressure (bar) -3.29806e+06 -5.78198e+03 Step Time 1075 1075.00000 Step Time 1076 1076.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92787e+03 6.02498e+03 1.98660e+04 2.53189e+02 -1.04599e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11015e+03 1.17124e+05 5.18916e+05 -3.97734e+06 1.10580e+04 Potential Pressure (bar) -3.29810e+06 -5.78241e+03 Step Time 1077 1077.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93329e+03 6.02147e+03 1.98661e+04 2.53198e+02 -1.04613e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11160e+03 1.17121e+05 5.18968e+05 -3.97743e+06 1.10574e+04 Potential Pressure (bar) -3.29814e+06 -5.78040e+03 Step Time 1078 1078.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95960e+03 6.03118e+03 1.98660e+04 2.53164e+02 -1.04609e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10960e+03 1.17124e+05 5.19022e+05 -3.97755e+06 1.10563e+04 Potential Pressure (bar) -3.29818e+06 -5.78139e+03 Step Time 1079 1079.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97636e+03 6.02628e+03 1.98661e+04 2.53188e+02 -1.04628e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11177e+03 1.17119e+05 5.19076e+05 -3.97764e+06 1.10558e+04 Potential Pressure (bar) -3.29820e+06 -5.77885e+03 Step Time 1080 1080.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02288e+03 6.04392e+03 1.98660e+04 2.53147e+02 -1.04618e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10896e+03 1.17123e+05 5.19128e+05 -3.97776e+06 1.10546e+04 Potential Pressure (bar) -3.29821e+06 -5.78068e+03 Step Time 1081 1081.00000 Step Time 1082 1082.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.89753e+03 6.01809e+03 1.98661e+04 2.53153e+02 -1.04630e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.11044e+03 1.17120e+05 5.19154e+05 -3.97781e+06 1.10540e+04 Potential Pressure (bar) -3.29838e+06 -5.77817e+03 Step Time 1083 1083.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.09309e+03 6.05253e+03 1.98660e+04 2.53047e+02 -1.04659e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10764e+03 1.17121e+05 5.19524e+05 -3.97855e+06 1.10478e+04 Potential Pressure (bar) -3.29853e+06 -5.77603e+03 Step Time 1084 1084.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90986e+03 6.01847e+03 1.98662e+04 2.53061e+02 -1.04678e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10982e+03 1.17117e+05 5.19554e+05 -3.97860e+06 1.10475e+04 Potential Pressure (bar) -3.29877e+06 -5.77255e+03 Step Time 1085 1085.00000 Step Time 1086 1086.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94730e+03 6.02771e+03 1.98661e+04 2.53031e+02 -1.04675e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10829e+03 1.17118e+05 5.19622e+05 -3.97874e+06 1.10459e+04 Potential Pressure (bar) -3.29880e+06 -5.77290e+03 Step Time 1087 1087.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93017e+03 6.02058e+03 1.98662e+04 2.53052e+02 -1.04691e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10989e+03 1.17115e+05 5.19667e+05 -3.97882e+06 1.10457e+04 Potential Pressure (bar) -3.29886e+06 -5.77087e+03 Step Time 1088 1088.00000 Step Time 1089 1089.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90190e+03 6.01908e+03 1.98662e+04 2.53027e+02 -1.04688e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10876e+03 1.17117e+05 5.19698e+05 -3.97889e+06 1.10448e+04 Potential Pressure (bar) -3.29892e+06 -5.77105e+03 Step Time 1090 1090.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95004e+03 6.02286e+03 1.98663e+04 2.53027e+02 -1.04709e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10973e+03 1.17114e+05 5.19820e+05 -3.97912e+06 1.10432e+04 Potential Pressure (bar) -3.29899e+06 -5.76874e+03 Step Time 1091 1091.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91293e+03 6.02136e+03 1.98662e+04 2.52992e+02 -1.04704e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10815e+03 1.17116e+05 5.19854e+05 -3.97920e+06 1.10422e+04 Potential Pressure (bar) -3.29907e+06 -5.76912e+03 Step Time 1092 1092.00000 Step Time 1093 1093.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90609e+03 6.01797e+03 1.98663e+04 2.52999e+02 -1.04714e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10893e+03 1.17114e+05 5.19898e+05 -3.97928e+06 1.10416e+04 Potential Pressure (bar) -3.29912e+06 -5.76781e+03 Step Time 1094 1094.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92514e+03 6.02366e+03 1.98663e+04 2.52971e+02 -1.04714e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10772e+03 1.17115e+05 5.19961e+05 -3.97942e+06 1.10404e+04 Potential Pressure (bar) -3.29917e+06 -5.76785e+03 Step Time 1095 1095.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91734e+03 6.01901e+03 1.98664e+04 2.52984e+02 -1.04727e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10889e+03 1.17113e+05 5.20007e+05 -3.97950e+06 1.10399e+04 Potential Pressure (bar) -3.29922e+06 -5.76623e+03 Step Time 1096 1096.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94841e+03 6.02812e+03 1.98663e+04 2.52951e+02 -1.04724e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10724e+03 1.17115e+05 5.20067e+05 -3.97963e+06 1.10387e+04 Potential Pressure (bar) -3.29925e+06 -5.76677e+03 Step Time 1097 1097.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94252e+03 6.02170e+03 1.98665e+04 2.52973e+02 -1.04741e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10896e+03 1.17111e+05 5.20115e+05 -3.97971e+06 1.10383e+04 Potential Pressure (bar) -3.29930e+06 -5.76467e+03 Step Time 1098 1098.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99355e+03 6.03699e+03 1.98664e+04 2.52935e+02 -1.04732e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10666e+03 1.17115e+05 5.20171e+05 -3.97984e+06 1.10369e+04 Potential Pressure (bar) -3.29931e+06 -5.76588e+03 Step Time 1099 1099.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99797e+03 6.02793e+03 1.98666e+04 2.52967e+02 -1.04754e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10920e+03 1.17110e+05 5.20220e+05 -3.97992e+06 1.10368e+04 Potential Pressure (bar) -3.29934e+06 -5.76315e+03 Step Time 1100 1100.00000 Step Time 1101 1101.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90283e+03 6.01900e+03 1.98665e+04 2.52930e+02 -1.04747e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10747e+03 1.17112e+05 5.20247e+05 -3.97998e+06 1.10357e+04 Potential Pressure (bar) -3.29948e+06 -5.76344e+03 Step Time 1102 1102.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04848e+03 6.03446e+03 1.98667e+04 2.52928e+02 -1.04779e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10896e+03 1.17108e+05 5.20437e+05 -3.98034e+06 1.10333e+04 Potential Pressure (bar) -3.29950e+06 -5.76027e+03 Step Time 1103 1103.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92312e+03 6.02297e+03 1.98666e+04 2.52880e+02 -1.04769e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10654e+03 1.17111e+05 5.20467e+05 -3.98042e+06 1.10321e+04 Potential Pressure (bar) -3.29969e+06 -5.76087e+03 Step Time 1104 1104.00000 Step Time 1105 1105.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92811e+03 6.01990e+03 1.98667e+04 2.52891e+02 -1.04782e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10781e+03 1.17108e+05 5.20520e+05 -3.98051e+06 1.10315e+04 Potential Pressure (bar) -3.29973e+06 -5.75907e+03 Step Time 1106 1106.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94688e+03 6.02760e+03 1.98666e+04 2.52861e+02 -1.04778e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10605e+03 1.17111e+05 5.20571e+05 -3.98063e+06 1.10304e+04 Potential Pressure (bar) -3.29976e+06 -5.75982e+03 Step Time 1107 1107.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96018e+03 6.02346e+03 1.98668e+04 2.52885e+02 -1.04795e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10792e+03 1.17107e+05 5.20623e+05 -3.98072e+06 1.10300e+04 Potential Pressure (bar) -3.29980e+06 -5.75757e+03 Step Time 1108 1108.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99438e+03 6.03701e+03 1.98667e+04 2.52845e+02 -1.04787e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10545e+03 1.17111e+05 5.20674e+05 -3.98084e+06 1.10288e+04 Potential Pressure (bar) -3.29982e+06 -5.75900e+03 Step Time 1109 1109.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02856e+03 6.03115e+03 1.98669e+04 2.52883e+02 -1.04808e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10820e+03 1.17105e+05 5.20727e+05 -3.98092e+06 1.10285e+04 Potential Pressure (bar) -3.29982e+06 -5.75615e+03 Step Time 1110 1110.00000 Step Time 1111 1111.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90211e+03 6.01831e+03 1.98668e+04 2.52845e+02 -1.04802e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10635e+03 1.17108e+05 5.20751e+05 -3.98098e+06 1.10275e+04 Potential Pressure (bar) -3.30000e+06 -5.75643e+03 Step Time 1112 1112.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08724e+03 6.03948e+03 1.98672e+04 2.52834e+02 -1.04842e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10768e+03 1.17102e+05 5.21043e+05 -3.98155e+06 1.10234e+04 Potential Pressure (bar) -3.30008e+06 -5.75196e+03 Step Time 1113 1113.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92214e+03 6.02194e+03 1.98670e+04 2.52776e+02 -1.04833e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10512e+03 1.17107e+05 5.21071e+05 -3.98162e+06 1.10223e+04 Potential Pressure (bar) -3.30030e+06 -5.75259e+03 Step Time 1114 1114.00000 Step Time 1115 1115.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94068e+03 6.02095e+03 1.98672e+04 2.52790e+02 -1.04846e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10650e+03 1.17103e+05 5.21130e+05 -3.98173e+06 1.10216e+04 Potential Pressure (bar) -3.30033e+06 -5.75061e+03 Step Time 1116 1116.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94608e+03 6.02681e+03 1.98671e+04 2.52760e+02 -1.04842e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10464e+03 1.17106e+05 5.21175e+05 -3.98183e+06 1.10207e+04 Potential Pressure (bar) -3.30038e+06 -5.75154e+03 Step Time 1117 1117.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98081e+03 6.02548e+03 1.98673e+04 2.52782e+02 -1.04858e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10665e+03 1.17102e+05 5.21232e+05 -3.98193e+06 1.10201e+04 Potential Pressure (bar) -3.30039e+06 -5.74909e+03 Step Time 1118 1118.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99591e+03 6.03687e+03 1.98672e+04 2.52748e+02 -1.04851e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10403e+03 1.17106e+05 5.21278e+05 -3.98204e+06 1.10191e+04 Potential Pressure (bar) -3.30043e+06 -5.75076e+03 Step Time 1119 1119.00000 Step Time 1120 1120.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90337e+03 6.01695e+03 1.98673e+04 2.52754e+02 -1.04861e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10541e+03 1.17103e+05 5.21305e+05 -3.98208e+06 1.10185e+04 Potential Pressure (bar) -3.30056e+06 -5.74848e+03 Step Time 1121 1121.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04691e+03 6.04441e+03 1.98674e+04 2.52707e+02 -1.04873e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10320e+03 1.17105e+05 5.21506e+05 -3.98249e+06 1.10154e+04 Potential Pressure (bar) -3.30060e+06 -5.74825e+03 Step Time 1122 1122.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91778e+03 6.01792e+03 1.98675e+04 2.52719e+02 -1.04887e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10521e+03 1.17101e+05 5.21537e+05 -3.98254e+06 1.10149e+04 Potential Pressure (bar) -3.30078e+06 -5.74508e+03 Step Time 1123 1123.00000 Step Time 1124 1124.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93440e+03 6.02376e+03 1.98675e+04 2.52692e+02 -1.04885e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10379e+03 1.17103e+05 5.21590e+05 -3.98265e+06 1.10139e+04 Potential Pressure (bar) -3.30081e+06 -5.74557e+03 Step Time 1125 1125.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93736e+03 6.01997e+03 1.98677e+04 2.52714e+02 -1.04899e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10525e+03 1.17100e+05 5.21640e+05 -3.98275e+06 1.10135e+04 Potential Pressure (bar) -3.30086e+06 -5.74359e+03 Step Time 1126 1126.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96624e+03 6.02997e+03 1.98676e+04 2.52679e+02 -1.04894e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10327e+03 1.17103e+05 5.21692e+05 -3.98286e+06 1.10123e+04 Potential Pressure (bar) -3.30088e+06 -5.74464e+03 Step Time 1127 1127.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97947e+03 6.02465e+03 1.98678e+04 2.52711e+02 -1.04912e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10542e+03 1.17098e+05 5.21742e+05 -3.98295e+06 1.10120e+04 Potential Pressure (bar) -3.30091e+06 -5.74212e+03 Step Time 1128 1128.00000 Step Time 1129 1129.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90415e+03 6.01763e+03 1.98677e+04 2.52679e+02 -1.04907e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10395e+03 1.17101e+05 5.21767e+05 -3.98300e+06 1.10111e+04 Potential Pressure (bar) -3.30103e+06 -5.74244e+03 Step Time 1130 1130.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01760e+03 6.02976e+03 1.98681e+04 2.52675e+02 -1.04939e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10502e+03 1.17096e+05 5.22004e+05 -3.98347e+06 1.10078e+04 Potential Pressure (bar) -3.30114e+06 -5.73855e+03 Step Time 1131 1131.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91807e+03 6.02028e+03 1.98680e+04 2.52632e+02 -1.04932e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10296e+03 1.17099e+05 5.22032e+05 -3.98354e+06 1.10068e+04 Potential Pressure (bar) -3.30129e+06 -5.73915e+03 Step Time 1132 1132.00000 Step Time 1133 1133.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92631e+03 6.01852e+03 1.98681e+04 2.52644e+02 -1.04944e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10403e+03 1.17097e+05 5.22087e+05 -3.98364e+06 1.10062e+04 Potential Pressure (bar) -3.30133e+06 -5.73745e+03 Step Time 1134 1134.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93458e+03 6.02356e+03 1.98681e+04 2.52622e+02 -1.04942e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10252e+03 1.17099e+05 5.22134e+05 -3.98374e+06 1.10052e+04 Potential Pressure (bar) -3.30137e+06 -5.73810e+03 Step Time 1135 1135.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95102e+03 6.02122e+03 1.98682e+04 2.52642e+02 -1.04955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10410e+03 1.17095e+05 5.22188e+05 -3.98383e+06 1.10047e+04 Potential Pressure (bar) -3.30140e+06 -5.73595e+03 Step Time 1136 1136.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96835e+03 6.03022e+03 1.98682e+04 2.52608e+02 -1.04950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10197e+03 1.17099e+05 5.22235e+05 -3.98394e+06 1.10038e+04 Potential Pressure (bar) -3.30143e+06 -5.73717e+03 Step Time 1137 1137.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00265e+03 6.02704e+03 1.98684e+04 2.52642e+02 -1.04968e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10431e+03 1.17094e+05 5.22289e+05 -3.98403e+06 1.10033e+04 Potential Pressure (bar) -3.30144e+06 -5.73450e+03 Step Time 1138 1138.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03689e+03 6.04420e+03 1.98683e+04 2.52603e+02 -1.04957e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10132e+03 1.17099e+05 5.22336e+05 -3.98414e+06 1.10023e+04 Potential Pressure (bar) -3.30145e+06 -5.73662e+03 Step Time 1139 1139.00000 Step Time 1140 1140.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90525e+03 6.01645e+03 1.98684e+04 2.52610e+02 -1.04969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10291e+03 1.17096e+05 5.22361e+05 -3.98418e+06 1.10018e+04 Potential Pressure (bar) -3.30163e+06 -5.73391e+03 Step Time 1141 1141.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.10886e+03 6.05388e+03 1.98685e+04 2.52558e+02 -1.04984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10031e+03 1.17098e+05 5.22609e+05 -3.98469e+06 1.09978e+04 Potential Pressure (bar) -3.30165e+06 -5.73363e+03 Step Time 1142 1142.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92204e+03 6.01754e+03 1.98687e+04 2.52574e+02 -1.05001e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10264e+03 1.17093e+05 5.22638e+05 -3.98473e+06 1.09975e+04 Potential Pressure (bar) -3.30189e+06 -5.72991e+03 Step Time 1143 1143.00000 Step Time 1144 1144.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95268e+03 6.02604e+03 1.98687e+04 2.52545e+02 -1.04997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10104e+03 1.17095e+05 5.22695e+05 -3.98486e+06 1.09962e+04 Potential Pressure (bar) -3.30192e+06 -5.73056e+03 Step Time 1145 1145.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94693e+03 6.02017e+03 1.98689e+04 2.52572e+02 -1.05012e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10275e+03 1.17092e+05 5.22741e+05 -3.98494e+06 1.09960e+04 Potential Pressure (bar) -3.30197e+06 -5.72838e+03 Step Time 1146 1146.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99673e+03 6.03474e+03 1.98688e+04 2.52533e+02 -1.05005e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10048e+03 1.17095e+05 5.22795e+05 -3.98506e+06 1.09948e+04 Potential Pressure (bar) -3.30197e+06 -5.72972e+03 Step Time 1147 1147.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00156e+03 6.02626e+03 1.98690e+04 2.52576e+02 -1.05025e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10300e+03 1.17090e+05 5.22842e+05 -3.98513e+06 1.09947e+04 Potential Pressure (bar) -3.30201e+06 -5.72692e+03 Step Time 1148 1148.00000 Step Time 1149 1149.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90812e+03 6.01757e+03 1.98690e+04 2.52540e+02 -1.05019e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10129e+03 1.17093e+05 5.22867e+05 -3.98520e+06 1.09937e+04 Potential Pressure (bar) -3.30215e+06 -5.72730e+03 Step Time 1150 1150.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05196e+03 6.03295e+03 1.98693e+04 2.52562e+02 -1.05048e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10277e+03 1.17088e+05 5.23052e+05 -3.98555e+06 1.09915e+04 Potential Pressure (bar) -3.30216e+06 -5.72412e+03 Step Time 1151 1151.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92797e+03 6.02144e+03 1.98692e+04 2.52506e+02 -1.05039e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10039e+03 1.17092e+05 5.23080e+05 -3.98562e+06 1.09903e+04 Potential Pressure (bar) -3.30234e+06 -5.72485e+03 Step Time 1152 1152.00000 Step Time 1153 1153.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93326e+03 6.01849e+03 1.98693e+04 2.52524e+02 -1.05051e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10166e+03 1.17089e+05 5.23130e+05 -3.98572e+06 1.09898e+04 Potential Pressure (bar) -3.30238e+06 -5.72302e+03 Step Time 1154 1154.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95127e+03 6.02596e+03 1.98693e+04 2.52495e+02 -1.05047e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09992e+03 1.17092e+05 5.23179e+05 -3.98582e+06 1.09887e+04 Potential Pressure (bar) -3.30241e+06 -5.72385e+03 Step Time 1155 1155.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96494e+03 6.02199e+03 1.98695e+04 2.52522e+02 -1.05063e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10179e+03 1.17088e+05 5.23230e+05 -3.98591e+06 1.09884e+04 Potential Pressure (bar) -3.30244e+06 -5.72154e+03 Step Time 1156 1156.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99793e+03 6.03522e+03 1.98694e+04 2.52486e+02 -1.05055e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09934e+03 1.17092e+05 5.23278e+05 -3.98602e+06 1.09873e+04 Potential Pressure (bar) -3.30246e+06 -5.72307e+03 Step Time 1157 1157.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03247e+03 6.02957e+03 1.98697e+04 2.52528e+02 -1.05075e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10208e+03 1.17086e+05 5.23329e+05 -3.98610e+06 1.09871e+04 Potential Pressure (bar) -3.30246e+06 -5.72018e+03 Step Time 1158 1158.00000 Step Time 1159 1159.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90734e+03 6.01684e+03 1.98696e+04 2.52490e+02 -1.05069e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10024e+03 1.17089e+05 5.23352e+05 -3.98616e+06 1.09862e+04 Potential Pressure (bar) -3.30264e+06 -5.72052e+03 Step Time 1160 1160.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.09069e+03 6.03791e+03 1.98701e+04 2.52512e+02 -1.05109e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10160e+03 1.17084e+05 5.23638e+05 -3.98672e+06 1.09823e+04 Potential Pressure (bar) -3.30271e+06 -5.71606e+03 Step Time 1161 1161.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92698e+03 6.02035e+03 1.98699e+04 2.52449e+02 -1.05100e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09905e+03 1.17088e+05 5.23665e+05 -3.98679e+06 1.09813e+04 Potential Pressure (bar) -3.30294e+06 -5.71675e+03 Step Time 1162 1162.00000 Step Time 1163 1163.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94575e+03 6.01947e+03 1.98701e+04 2.52466e+02 -1.05112e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10044e+03 1.17085e+05 5.23720e+05 -3.98689e+06 1.09806e+04 Potential Pressure (bar) -3.30297e+06 -5.71476e+03 Step Time 1164 1164.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95046e+03 6.02515e+03 1.98701e+04 2.52440e+02 -1.05108e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09858e+03 1.17088e+05 5.23764e+05 -3.98699e+06 1.09798e+04 Potential Pressure (bar) -3.30301e+06 -5.71577e+03 Step Time 1165 1165.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98556e+03 6.02396e+03 1.98703e+04 2.52473e+02 -1.05124e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.10059e+03 1.17084e+05 5.23818e+05 -3.98708e+06 1.09792e+04 Potential Pressure (bar) -3.30302e+06 -5.71330e+03 Step Time 1166 1166.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99950e+03 6.03505e+03 1.98702e+04 2.52434e+02 -1.05116e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09799e+03 1.17088e+05 5.23862e+05 -3.98719e+06 1.09784e+04 Potential Pressure (bar) -3.30306e+06 -5.71507e+03 Step Time 1167 1167.00000 Step Time 1168 1168.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90866e+03 6.01548e+03 1.98703e+04 2.52448e+02 -1.05126e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09938e+03 1.17085e+05 5.23889e+05 -3.98723e+06 1.09778e+04 Potential Pressure (bar) -3.30318e+06 -5.71278e+03 Step Time 1169 1169.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04945e+03 6.04244e+03 1.98704e+04 2.52403e+02 -1.05136e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09719e+03 1.17087e+05 5.24077e+05 -3.98761e+06 1.09750e+04 Potential Pressure (bar) -3.30321e+06 -5.71270e+03 Step Time 1170 1170.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92301e+03 6.01645e+03 1.98706e+04 2.52428e+02 -1.05151e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09922e+03 1.17083e+05 5.24107e+05 -3.98766e+06 1.09746e+04 Potential Pressure (bar) -3.30338e+06 -5.70958e+03 Step Time 1171 1171.00000 Step Time 1172 1172.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93877e+03 6.02209e+03 1.98706e+04 2.52403e+02 -1.05149e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09782e+03 1.17085e+05 5.24157e+05 -3.98777e+06 1.09736e+04 Potential Pressure (bar) -3.30342e+06 -5.71008e+03 Step Time 1173 1173.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94246e+03 6.01847e+03 1.98707e+04 2.52428e+02 -1.05162e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09928e+03 1.17082e+05 5.24205e+05 -3.98785e+06 1.09733e+04 Potential Pressure (bar) -3.30346e+06 -5.70807e+03 Step Time 1174 1174.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97002e+03 6.02818e+03 1.98707e+04 2.52391e+02 -1.05157e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09730e+03 1.17085e+05 5.24254e+05 -3.98796e+06 1.09722e+04 Potential Pressure (bar) -3.30348e+06 -5.70919e+03 Step Time 1175 1175.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98423e+03 6.02312e+03 1.98709e+04 2.52433e+02 -1.05174e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09947e+03 1.17081e+05 5.24302e+05 -3.98805e+06 1.09719e+04 Potential Pressure (bar) -3.30351e+06 -5.70666e+03 Step Time 1176 1176.00000 Step Time 1177 1177.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.90916e+03 6.01607e+03 1.98709e+04 2.52399e+02 -1.05169e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09800e+03 1.17083e+05 5.24326e+05 -3.98810e+06 1.09711e+04 Potential Pressure (bar) -3.30363e+06 -5.70705e+03 Step Time 1178 1178.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02208e+03 6.02818e+03 1.98713e+04 2.52418e+02 -1.05202e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09908e+03 1.17079e+05 5.24561e+05 -3.98856e+06 1.09679e+04 Potential Pressure (bar) -3.30373e+06 -5.70310e+03 Step Time 1179 1179.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92273e+03 6.01860e+03 1.98712e+04 2.52370e+02 -1.05196e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09703e+03 1.17082e+05 5.24588e+05 -3.98863e+06 1.09671e+04 Potential Pressure (bar) -3.30388e+06 -5.70379e+03 Step Time 1180 1180.00000 Step Time 1181 1181.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93146e+03 6.01699e+03 1.98713e+04 2.52390e+02 -1.05207e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09812e+03 1.17079e+05 5.24641e+05 -3.98872e+06 1.09664e+04 Potential Pressure (bar) -3.30392e+06 -5.70205e+03 Step Time 1182 1182.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93890e+03 6.02181e+03 1.98713e+04 2.52362e+02 -1.05205e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09660e+03 1.17082e+05 5.24685e+05 -3.98882e+06 1.09656e+04 Potential Pressure (bar) -3.30396e+06 -5.70277e+03 Step Time 1183 1183.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95603e+03 6.01969e+03 1.98715e+04 2.52390e+02 -1.05218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09820e+03 1.17078e+05 5.24737e+05 -3.98891e+06 1.09651e+04 Potential Pressure (bar) -3.30399e+06 -5.70062e+03 Step Time 1184 1184.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97204e+03 6.02834e+03 1.98714e+04 2.52354e+02 -1.05214e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09608e+03 1.17082e+05 5.24782e+05 -3.98901e+06 1.09642e+04 Potential Pressure (bar) -3.30401e+06 -5.70188e+03 Step Time 1185 1185.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00733e+03 6.02546e+03 1.98717e+04 2.52400e+02 -1.05231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09843e+03 1.17077e+05 5.24833e+05 -3.98910e+06 1.09638e+04 Potential Pressure (bar) -3.30402e+06 -5.69924e+03 Step Time 1186 1186.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03950e+03 6.04206e+03 1.98715e+04 2.52354e+02 -1.05222e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09544e+03 1.17082e+05 5.24878e+05 -3.98921e+06 1.09628e+04 Potential Pressure (bar) -3.30404e+06 -5.70139e+03 Step Time 1187 1187.00000 Step Time 1188 1188.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91035e+03 6.01484e+03 1.98717e+04 2.52373e+02 -1.05233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09704e+03 1.17079e+05 5.24903e+05 -3.98925e+06 1.09623e+04 Potential Pressure (bar) -3.30421e+06 -5.69866e+03 Step Time 1189 1189.00000 Step Time 1190 1190.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95083e+03 6.02310e+03 1.98718e+04 2.52341e+02 -1.05240e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09571e+03 1.17080e+05 5.25017e+05 -3.98948e+06 1.09604e+04 Potential Pressure (bar) -3.30428e+06 -5.69831e+03 Step Time 1191 1191.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91644e+03 6.01500e+03 1.98719e+04 2.52363e+02 -1.05250e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09688e+03 1.17078e+05 5.25050e+05 -3.98954e+06 1.09602e+04 Potential Pressure (bar) -3.30435e+06 -5.69656e+03 Step Time 1192 1192.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97904e+03 6.02857e+03 1.98719e+04 2.52330e+02 -1.05251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09523e+03 1.17080e+05 5.25132e+05 -3.98971e+06 1.09587e+04 Potential Pressure (bar) -3.30437e+06 -5.69706e+03 Step Time 1193 1193.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93399e+03 6.01668e+03 1.98721e+04 2.52362e+02 -1.05265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09694e+03 1.17076e+05 5.25168e+05 -3.98977e+06 1.09584e+04 Potential Pressure (bar) -3.30445e+06 -5.69476e+03 Step Time 1194 1194.00000 Step Time 1195 1195.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91856e+03 6.01711e+03 1.98721e+04 2.52338e+02 -1.05263e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09576e+03 1.17078e+05 5.25202e+05 -3.98985e+06 1.09576e+04 Potential Pressure (bar) -3.30451e+06 -5.69510e+03 Step Time 1196 1196.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95269e+03 6.01871e+03 1.98722e+04 2.52363e+02 -1.05278e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09692e+03 1.17075e+05 5.25275e+05 -3.98998e+06 1.09569e+04 Potential Pressure (bar) -3.30453e+06 -5.69323e+03 Step Time 1197 1197.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93451e+03 6.02025e+03 1.98722e+04 2.52326e+02 -1.05273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09525e+03 1.17078e+05 5.25311e+05 -3.99006e+06 1.09560e+04 Potential Pressure (bar) -3.30459e+06 -5.69394e+03 Step Time 1198 1198.00000 Step Time 1199 1199.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91312e+03 6.01450e+03 1.98723e+04 2.52344e+02 -1.05282e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09611e+03 1.17076e+05 5.25343e+05 -3.99012e+06 1.09557e+04 Potential Pressure (bar) -3.30465e+06 -5.69255e+03 Step Time 1200 1200.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95107e+03 6.02319e+03 1.98724e+04 2.52318e+02 -1.05286e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09479e+03 1.17078e+05 5.25428e+05 -3.99030e+06 1.09542e+04 Potential Pressure (bar) -3.30470e+06 -5.69256e+03 Step Time 1201 1201.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92230e+03 6.01520e+03 1.98725e+04 2.52342e+02 -1.05297e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09607e+03 1.17075e+05 5.25463e+05 -3.99036e+06 1.09539e+04 Potential Pressure (bar) -3.30476e+06 -5.69076e+03 Step Time 1202 1202.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98093e+03 6.02884e+03 1.98725e+04 2.52311e+02 -1.05296e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09430e+03 1.17077e+05 5.25532e+05 -3.99050e+06 1.09527e+04 Potential Pressure (bar) -3.30477e+06 -5.69150e+03 Step Time 1203 1203.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94558e+03 6.01759e+03 1.98726e+04 2.52345e+02 -1.05311e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09618e+03 1.17074e+05 5.25571e+05 -3.99057e+06 1.09524e+04 Potential Pressure (bar) -3.30484e+06 -5.68913e+03 Step Time 1204 1204.00000 Step Time 1205 1205.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91725e+03 6.01644e+03 1.98726e+04 2.52318e+02 -1.05308e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09490e+03 1.17076e+05 5.25600e+05 -3.99063e+06 1.09516e+04 Potential Pressure (bar) -3.30491e+06 -5.68949e+03 Step Time 1206 1206.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96917e+03 6.02027e+03 1.98728e+04 2.52347e+02 -1.05325e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09615e+03 1.17073e+05 5.25689e+05 -3.99080e+06 1.09506e+04 Potential Pressure (bar) -3.30493e+06 -5.68743e+03 Step Time 1207 1207.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93329e+03 6.01964e+03 1.98728e+04 2.52306e+02 -1.05320e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09434e+03 1.17075e+05 5.25723e+05 -3.99088e+06 1.09497e+04 Potential Pressure (bar) -3.30501e+06 -5.68815e+03 Step Time 1208 1208.00000 Step Time 1209 1209.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91726e+03 6.01446e+03 1.98729e+04 2.52325e+02 -1.05329e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09528e+03 1.17073e+05 5.25758e+05 -3.99094e+06 1.09494e+04 Potential Pressure (bar) -3.30506e+06 -5.68673e+03 Step Time 1210 1210.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95040e+03 6.02274e+03 1.98729e+04 2.52300e+02 -1.05331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09392e+03 1.17075e+05 5.25826e+05 -3.99109e+06 1.09481e+04 Potential Pressure (bar) -3.30510e+06 -5.68701e+03 Step Time 1211 1211.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93001e+03 6.01562e+03 1.98731e+04 2.52328e+02 -1.05343e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09530e+03 1.17072e+05 5.25863e+05 -3.99115e+06 1.09478e+04 Potential Pressure (bar) -3.30516e+06 -5.68514e+03 Step Time 1212 1212.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98220e+03 6.02882e+03 1.98730e+04 2.52294e+02 -1.05340e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09343e+03 1.17075e+05 5.25923e+05 -3.99128e+06 1.09467e+04 Potential Pressure (bar) -3.30516e+06 -5.68613e+03 Step Time 1213 1213.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96012e+03 6.01885e+03 1.98732e+04 2.52333e+02 -1.05356e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09545e+03 1.17071e+05 5.25964e+05 -3.99135e+06 1.09464e+04 Potential Pressure (bar) -3.30523e+06 -5.68362e+03 Step Time 1214 1214.00000 Step Time 1215 1215.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91596e+03 6.01574e+03 1.98732e+04 2.52301e+02 -1.05352e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09408e+03 1.17073e+05 5.25991e+05 -3.99142e+06 1.09457e+04 Potential Pressure (bar) -3.30531e+06 -5.68402e+03 Step Time 1216 1216.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98944e+03 6.02234e+03 1.98734e+04 2.52336e+02 -1.05374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09538e+03 1.17070e+05 5.26104e+05 -3.99162e+06 1.09445e+04 Potential Pressure (bar) -3.30533e+06 -5.68166e+03 Step Time 1217 1217.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93189e+03 6.01892e+03 1.98734e+04 2.52293e+02 -1.05367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09345e+03 1.17073e+05 5.26134e+05 -3.99170e+06 1.09435e+04 Potential Pressure (bar) -3.30543e+06 -5.68239e+03 Step Time 1218 1218.00000 Step Time 1219 1219.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92289e+03 6.01460e+03 1.98735e+04 2.52313e+02 -1.05378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09445e+03 1.17071e+05 5.26174e+05 -3.99177e+06 1.09431e+04 Potential Pressure (bar) -3.30548e+06 -5.68089e+03 Step Time 1220 1220.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94955e+03 6.02221e+03 1.98735e+04 2.52284e+02 -1.05377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09302e+03 1.17073e+05 5.26230e+05 -3.99189e+06 1.09420e+04 Potential Pressure (bar) -3.30551e+06 -5.68136e+03 Step Time 1221 1221.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93993e+03 6.01633e+03 1.98736e+04 2.52314e+02 -1.05390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09451e+03 1.17070e+05 5.26272e+05 -3.99196e+06 1.09417e+04 Potential Pressure (bar) -3.30555e+06 -5.67937e+03 Step Time 1222 1222.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98331e+03 6.02874e+03 1.98736e+04 2.52278e+02 -1.05386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09252e+03 1.17073e+05 5.26324e+05 -3.99208e+06 1.09406e+04 Potential Pressure (bar) -3.30557e+06 -5.68052e+03 Step Time 1223 1223.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97818e+03 6.02057e+03 1.98738e+04 2.52321e+02 -1.05403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09470e+03 1.17068e+05 5.26368e+05 -3.99215e+06 1.09404e+04 Potential Pressure (bar) -3.30561e+06 -5.67796e+03 Step Time 1224 1224.00000 Step Time 1225 1225.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91487e+03 6.01506e+03 1.98737e+04 2.52286e+02 -1.05399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09324e+03 1.17071e+05 5.26392e+05 -3.99221e+06 1.09396e+04 Potential Pressure (bar) -3.30571e+06 -5.67835e+03 Step Time 1226 1226.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01401e+03 6.02502e+03 1.98740e+04 2.52322e+02 -1.05425e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09455e+03 1.17067e+05 5.26544e+05 -3.99249e+06 1.09378e+04 Potential Pressure (bar) -3.30574e+06 -5.67553e+03 Step Time 1227 1227.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93053e+03 6.01816e+03 1.98740e+04 2.52275e+02 -1.05418e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09249e+03 1.17070e+05 5.26572e+05 -3.99256e+06 1.09369e+04 Potential Pressure (bar) -3.30587e+06 -5.67630e+03 Step Time 1228 1228.00000 Step Time 1229 1229.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93021e+03 6.01502e+03 1.98741e+04 2.52296e+02 -1.05430e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09358e+03 1.17068e+05 5.26616e+05 -3.99265e+06 1.09364e+04 Potential Pressure (bar) -3.30592e+06 -5.67464e+03 Step Time 1230 1230.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94864e+03 6.02163e+03 1.98741e+04 2.52268e+02 -1.05428e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09206e+03 1.17070e+05 5.26665e+05 -3.99275e+06 1.09355e+04 Potential Pressure (bar) -3.30594e+06 -5.67530e+03 Step Time 1231 1231.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95239e+03 6.01739e+03 1.98742e+04 2.52299e+02 -1.05442e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09367e+03 1.17067e+05 5.26710e+05 -3.99283e+06 1.09351e+04 Potential Pressure (bar) -3.30598e+06 -5.67323e+03 Step Time 1232 1232.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98438e+03 6.02863e+03 1.98742e+04 2.52261e+02 -1.05437e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09155e+03 1.17070e+05 5.26757e+05 -3.99294e+06 1.09341e+04 Potential Pressure (bar) -3.30600e+06 -5.67455e+03 Step Time 1233 1233.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00022e+03 6.02276e+03 1.98744e+04 2.52311e+02 -1.05455e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09390e+03 1.17065e+05 5.26804e+05 -3.99301e+06 1.09339e+04 Potential Pressure (bar) -3.30602e+06 -5.67183e+03 Step Time 1234 1234.00000 Step Time 1235 1235.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91412e+03 6.01440e+03 1.98743e+04 2.52274e+02 -1.05450e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09232e+03 1.17068e+05 5.26826e+05 -3.99307e+06 1.09330e+04 Potential Pressure (bar) -3.30615e+06 -5.67226e+03 Step Time 1236 1236.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04310e+03 6.02842e+03 1.98747e+04 2.52306e+02 -1.05485e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09360e+03 1.17064e+05 5.27047e+05 -3.99349e+06 1.09302e+04 Potential Pressure (bar) -3.30621e+06 -5.66850e+03 Step Time 1237 1237.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92951e+03 6.01732e+03 1.98746e+04 2.52255e+02 -1.05478e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09139e+03 1.17068e+05 5.27073e+05 -3.99356e+06 1.09293e+04 Potential Pressure (bar) -3.30638e+06 -5.66931e+03 Step Time 1238 1238.00000 Step Time 1239 1239.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93944e+03 6.01563e+03 1.98747e+04 2.52281e+02 -1.05490e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09256e+03 1.17065e+05 5.27124e+05 -3.99365e+06 1.09286e+04 Potential Pressure (bar) -3.30641e+06 -5.66752e+03 Step Time 1240 1240.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94793e+03 6.02098e+03 1.98747e+04 2.52251e+02 -1.05487e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09096e+03 1.17068e+05 5.27167e+05 -3.99374e+06 1.09279e+04 Potential Pressure (bar) -3.30645e+06 -5.66832e+03 Step Time 1241 1241.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96762e+03 6.01876e+03 1.98749e+04 2.52284e+02 -1.05502e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09268e+03 1.17064e+05 5.27217e+05 -3.99383e+06 1.09274e+04 Potential Pressure (bar) -3.30647e+06 -5.66609e+03 Step Time 1242 1242.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98569e+03 6.02848e+03 1.98748e+04 2.52245e+02 -1.05496e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09043e+03 1.17068e+05 5.27260e+05 -3.99393e+06 1.09265e+04 Potential Pressure (bar) -3.30650e+06 -5.66754e+03 Step Time 1243 1243.00000 Step Time 1244 1244.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91396e+03 6.01310e+03 1.98749e+04 2.52263e+02 -1.05505e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09163e+03 1.17065e+05 5.27284e+05 -3.99397e+06 1.09261e+04 Potential Pressure (bar) -3.30660e+06 -5.66562e+03 Step Time 1245 1245.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02422e+03 6.03396e+03 1.98751e+04 2.52230e+02 -1.05522e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08964e+03 1.17067e+05 5.27493e+05 -3.99439e+06 1.09229e+04 Potential Pressure (bar) -3.30669e+06 -5.66480e+03 Step Time 1246 1246.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92347e+03 6.01353e+03 1.98752e+04 2.52260e+02 -1.05535e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09139e+03 1.17063e+05 5.27521e+05 -3.99444e+06 1.09227e+04 Potential Pressure (bar) -3.30683e+06 -5.66214e+03 Step Time 1247 1247.00000 Step Time 1248 1248.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93947e+03 6.01857e+03 1.98752e+04 2.52237e+02 -1.05535e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09017e+03 1.17065e+05 5.27572e+05 -3.99455e+06 1.09217e+04 Potential Pressure (bar) -3.30687e+06 -5.66245e+03 Step Time 1249 1249.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93705e+03 6.01488e+03 1.98753e+04 2.52265e+02 -1.05547e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09142e+03 1.17062e+05 5.27614e+05 -3.99462e+06 1.09213e+04 Potential Pressure (bar) -3.30691e+06 -5.66068e+03 Step Time 1250 1250.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96364e+03 6.02327e+03 1.98753e+04 2.52230e+02 -1.05543e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08971e+03 1.17065e+05 5.27663e+05 -3.99473e+06 1.09203e+04 Potential Pressure (bar) -3.30693e+06 -5.66157e+03 Step Time 1251 1251.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96661e+03 6.01813e+03 1.98754e+04 2.52270e+02 -1.05559e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09157e+03 1.17061e+05 5.27708e+05 -3.99481e+06 1.09200e+04 Potential Pressure (bar) -3.30697e+06 -5.65931e+03 Step Time 1252 1252.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01136e+03 6.03273e+03 1.98754e+04 2.52226e+02 -1.05551e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08916e+03 1.17065e+05 5.27754e+05 -3.99492e+06 1.09190e+04 Potential Pressure (bar) -3.30697e+06 -5.66090e+03 Step Time 1253 1253.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03066e+03 6.02532e+03 1.98756e+04 2.52290e+02 -1.05572e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09189e+03 1.17060e+05 5.27800e+05 -3.99499e+06 1.09189e+04 Potential Pressure (bar) -3.30699e+06 -5.65795e+03 Step Time 1254 1254.00000 Step Time 1255 1255.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91671e+03 6.01410e+03 1.98755e+04 2.52240e+02 -1.05566e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09007e+03 1.17063e+05 5.27822e+05 -3.99504e+06 1.09179e+04 Potential Pressure (bar) -3.30715e+06 -5.65839e+03 Step Time 1256 1256.00000 Step Time 1257 1257.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94691e+03 6.01599e+03 1.98757e+04 2.52261e+02 -1.05583e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09083e+03 1.17060e+05 5.27925e+05 -3.99524e+06 1.09164e+04 Potential Pressure (bar) -3.30721e+06 -5.65631e+03 Step Time 1258 1258.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92483e+03 6.01555e+03 1.98756e+04 2.52228e+02 -1.05580e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08953e+03 1.17062e+05 5.27956e+05 -3.99531e+06 1.09158e+04 Potential Pressure (bar) -3.30727e+06 -5.65681e+03 Step Time 1259 1259.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97024e+03 6.01857e+03 1.98758e+04 2.52261e+02 -1.05596e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09088e+03 1.17059e+05 5.28029e+05 -3.99544e+06 1.09150e+04 Potential Pressure (bar) -3.30728e+06 -5.65476e+03 Step Time 1260 1260.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94346e+03 6.01931e+03 1.98757e+04 2.52225e+02 -1.05591e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08903e+03 1.17063e+05 5.28063e+05 -3.99552e+06 1.09142e+04 Potential Pressure (bar) -3.30736e+06 -5.65567e+03 Step Time 1261 1261.00000 Step Time 1262 1262.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91967e+03 6.01284e+03 1.98758e+04 2.52243e+02 -1.05600e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08999e+03 1.17060e+05 5.28094e+05 -3.99558e+06 1.09138e+04 Potential Pressure (bar) -3.30741e+06 -5.65416e+03 Step Time 1263 1263.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96285e+03 6.02274e+03 1.98758e+04 2.52218e+02 -1.05602e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08859e+03 1.17062e+05 5.28172e+05 -3.99574e+06 1.09125e+04 Potential Pressure (bar) -3.30744e+06 -5.65445e+03 Step Time 1264 1264.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93147e+03 6.01389e+03 1.98759e+04 2.52243e+02 -1.05614e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09000e+03 1.17059e+05 5.28206e+05 -3.99579e+06 1.09122e+04 Potential Pressure (bar) -3.30751e+06 -5.65243e+03 Step Time 1265 1265.00000 Step Time 1266 1266.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92125e+03 6.01446e+03 1.98759e+04 2.52224e+02 -1.05613e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08901e+03 1.17061e+05 5.28238e+05 -3.99586e+06 1.09115e+04 Potential Pressure (bar) -3.30756e+06 -5.65275e+03 Step Time 1267 1267.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94410e+03 6.01521e+03 1.98760e+04 2.52243e+02 -1.05627e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08996e+03 1.17058e+05 5.28307e+05 -3.99599e+06 1.09107e+04 Potential Pressure (bar) -3.30759e+06 -5.65092e+03 Step Time 1268 1268.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93231e+03 6.01668e+03 1.98760e+04 2.52213e+02 -1.05624e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08857e+03 1.17061e+05 5.28341e+05 -3.99607e+06 1.09099e+04 Potential Pressure (bar) -3.30765e+06 -5.65156e+03 Step Time 1269 1269.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96878e+03 6.01798e+03 1.98761e+04 2.52249e+02 -1.05638e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.09002e+03 1.17057e+05 5.28402e+05 -3.99618e+06 1.09094e+04 Potential Pressure (bar) -3.30766e+06 -5.64955e+03 Step Time 1270 1270.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95667e+03 6.02152e+03 1.98761e+04 2.52206e+02 -1.05633e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08805e+03 1.17061e+05 5.28438e+05 -3.99626e+06 1.09084e+04 Potential Pressure (bar) -3.30772e+06 -5.65062e+03 Step Time 1271 1271.00000 Step Time 1272 1272.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91832e+03 6.01248e+03 1.98761e+04 2.52225e+02 -1.05642e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08909e+03 1.17058e+05 5.28466e+05 -3.99631e+06 1.09081e+04 Potential Pressure (bar) -3.30779e+06 -5.64899e+03 Step Time 1273 1273.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98150e+03 6.02581e+03 1.98761e+04 2.52200e+02 -1.05646e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08753e+03 1.17061e+05 5.28569e+05 -3.99652e+06 1.09064e+04 Potential Pressure (bar) -3.30782e+06 -5.64912e+03 Step Time 1274 1274.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92929e+03 6.01335e+03 1.98763e+04 2.52230e+02 -1.05658e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08906e+03 1.17057e+05 5.28601e+05 -3.99658e+06 1.09062e+04 Potential Pressure (bar) -3.30791e+06 -5.64693e+03 Step Time 1275 1275.00000 Step Time 1276 1276.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92716e+03 6.01533e+03 1.98762e+04 2.52206e+02 -1.05657e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08800e+03 1.17059e+05 5.28637e+05 -3.99666e+06 1.09053e+04 Potential Pressure (bar) -3.30796e+06 -5.64725e+03 Step Time 1277 1277.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94204e+03 6.01466e+03 1.98764e+04 2.52231e+02 -1.05670e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08907e+03 1.17056e+05 5.28693e+05 -3.99676e+06 1.09048e+04 Potential Pressure (bar) -3.30799e+06 -5.64557e+03 Step Time 1278 1278.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94212e+03 6.01828e+03 1.98763e+04 2.52200e+02 -1.05666e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08757e+03 1.17059e+05 5.28731e+05 -3.99684e+06 1.09038e+04 Potential Pressure (bar) -3.30803e+06 -5.64623e+03 Step Time 1279 1279.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96790e+03 6.01754e+03 1.98765e+04 2.52238e+02 -1.05681e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08917e+03 1.17055e+05 5.28783e+05 -3.99693e+06 1.09035e+04 Potential Pressure (bar) -3.30804e+06 -5.64424e+03 Step Time 1280 1280.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97337e+03 6.02445e+03 1.98764e+04 2.52194e+02 -1.05674e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08705e+03 1.17059e+05 5.28823e+05 -3.99702e+06 1.09024e+04 Potential Pressure (bar) -3.30808e+06 -5.64548e+03 Step Time 1281 1281.00000 Step Time 1282 1282.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91739e+03 6.01223e+03 1.98765e+04 2.52214e+02 -1.05684e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08817e+03 1.17057e+05 5.28848e+05 -3.99707e+06 1.09021e+04 Potential Pressure (bar) -3.30817e+06 -5.64371e+03 Step Time 1283 1283.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00515e+03 6.02956e+03 1.98765e+04 2.52191e+02 -1.05693e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08642e+03 1.17059e+05 5.28999e+05 -3.99738e+06 1.08997e+04 Potential Pressure (bar) -3.30823e+06 -5.64337e+03 Step Time 1284 1284.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92722e+03 6.01284e+03 1.98766e+04 2.52218e+02 -1.05706e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08806e+03 1.17055e+05 5.29028e+05 -3.99742e+06 1.08995e+04 Potential Pressure (bar) -3.30834e+06 -5.64102e+03 Step Time 1285 1285.00000 Step Time 1286 1286.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93527e+03 6.01653e+03 1.98766e+04 2.52194e+02 -1.05704e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08690e+03 1.17057e+05 5.29072e+05 -3.99752e+06 1.08985e+04 Potential Pressure (bar) -3.30838e+06 -5.64132e+03 Step Time 1287 1287.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94004e+03 6.01411e+03 1.98767e+04 2.52220e+02 -1.05717e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08808e+03 1.17054e+05 5.29118e+05 -3.99760e+06 1.08982e+04 Potential Pressure (bar) -3.30842e+06 -5.63964e+03 Step Time 1288 1288.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95495e+03 6.02038e+03 1.98766e+04 2.52186e+02 -1.05713e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08647e+03 1.17057e+05 5.29161e+05 -3.99769e+06 1.08972e+04 Potential Pressure (bar) -3.30845e+06 -5.64042e+03 Step Time 1289 1289.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96718e+03 6.01712e+03 1.98767e+04 2.52228e+02 -1.05728e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08821e+03 1.17053e+05 5.29207e+05 -3.99777e+06 1.08970e+04 Potential Pressure (bar) -3.30847e+06 -5.63827e+03 Step Time 1290 1290.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99450e+03 6.02817e+03 1.98767e+04 2.52181e+02 -1.05719e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08595e+03 1.17057e+05 5.29250e+05 -3.99787e+06 1.08959e+04 Potential Pressure (bar) -3.30849e+06 -5.63969e+03 Step Time 1291 1291.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02473e+03 6.02363e+03 1.98768e+04 2.52244e+02 -1.05740e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08849e+03 1.17052e+05 5.29297e+05 -3.99795e+06 1.08958e+04 Potential Pressure (bar) -3.30850e+06 -5.63698e+03 Step Time 1292 1292.00000 Step Time 1293 1293.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91804e+03 6.01290e+03 1.98768e+04 2.52202e+02 -1.05734e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08679e+03 1.17055e+05 5.29318e+05 -3.99800e+06 1.08949e+04 Potential Pressure (bar) -3.30865e+06 -5.63738e+03 Step Time 1294 1294.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07510e+03 6.03103e+03 1.98770e+04 2.52240e+02 -1.05773e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08804e+03 1.17050e+05 5.29592e+05 -3.99852e+06 1.08912e+04 Potential Pressure (bar) -3.30873e+06 -5.63295e+03 Step Time 1295 1295.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93448e+03 6.01589e+03 1.98769e+04 2.52184e+02 -1.05764e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08568e+03 1.17054e+05 5.29616e+05 -3.99859e+06 1.08901e+04 Potential Pressure (bar) -3.30892e+06 -5.63369e+03 Step Time 1296 1296.00000 Step Time 1297 1297.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95125e+03 6.01515e+03 1.98770e+04 2.52213e+02 -1.05776e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08698e+03 1.17051e+05 5.29667e+05 -3.99868e+06 1.08896e+04 Potential Pressure (bar) -3.30895e+06 -5.63186e+03 Step Time 1298 1298.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95426e+03 6.01996e+03 1.98769e+04 2.52184e+02 -1.05772e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08526e+03 1.17054e+05 5.29706e+05 -3.99877e+06 1.08887e+04 Potential Pressure (bar) -3.30899e+06 -5.63275e+03 Step Time 1299 1299.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98525e+03 6.01901e+03 1.98771e+04 2.52221e+02 -1.05787e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08714e+03 1.17050e+05 5.29756e+05 -3.99885e+06 1.08884e+04 Potential Pressure (bar) -3.30900e+06 -5.63046e+03 Step Time 1300 1300.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99573e+03 6.02830e+03 1.98770e+04 2.52180e+02 -1.05779e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08471e+03 1.17054e+05 5.29796e+05 -3.99895e+06 1.08874e+04 Potential Pressure (bar) -3.30903e+06 -5.63210e+03 Step Time 1301 1301.00000 Step Time 1302 1302.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91935e+03 6.01179e+03 1.98771e+04 2.52199e+02 -1.05789e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08601e+03 1.17051e+05 5.29820e+05 -3.99899e+06 1.08870e+04 Potential Pressure (bar) -3.30914e+06 -5.63001e+03 Step Time 1303 1303.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03766e+03 6.03470e+03 1.98770e+04 2.52169e+02 -1.05797e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08403e+03 1.17054e+05 5.29981e+05 -3.99932e+06 1.08844e+04 Potential Pressure (bar) -3.30917e+06 -5.63003e+03 Step Time 1304 1304.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93185e+03 6.01266e+03 1.98771e+04 2.52201e+02 -1.05811e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08592e+03 1.17050e+05 5.30009e+05 -3.99936e+06 1.08842e+04 Potential Pressure (bar) -3.30932e+06 -5.62716e+03 Step Time 1305 1305.00000 Step Time 1306 1306.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94416e+03 6.01745e+03 1.98771e+04 2.52177e+02 -1.05808e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08462e+03 1.17052e+05 5.30054e+05 -3.99945e+06 1.08832e+04 Potential Pressure (bar) -3.30935e+06 -5.62770e+03 Step Time 1307 1307.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94856e+03 6.01439e+03 1.98772e+04 2.52209e+02 -1.05822e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08599e+03 1.17049e+05 5.30097e+05 -3.99953e+06 1.08828e+04 Potential Pressure (bar) -3.30938e+06 -5.62581e+03 Step Time 1308 1308.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97042e+03 6.02260e+03 1.98771e+04 2.52172e+02 -1.05816e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08416e+03 1.17052e+05 5.30142e+05 -3.99963e+06 1.08818e+04 Potential Pressure (bar) -3.30941e+06 -5.62683e+03 Step Time 1309 1309.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98425e+03 6.01838e+03 1.98773e+04 2.52216e+02 -1.05832e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08617e+03 1.17048e+05 5.30186e+05 -3.99971e+06 1.08816e+04 Potential Pressure (bar) -3.30943e+06 -5.62447e+03 Step Time 1310 1310.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02300e+03 6.03311e+03 1.98772e+04 2.52168e+02 -1.05822e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08358e+03 1.17052e+05 5.30229e+05 -3.99981e+06 1.08806e+04 Potential Pressure (bar) -3.30944e+06 -5.62627e+03 Step Time 1311 1311.00000 Step Time 1312 1312.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.91886e+03 6.01165e+03 1.98772e+04 2.52190e+02 -1.05833e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08497e+03 1.17049e+05 5.30251e+05 -3.99984e+06 1.08802e+04 Potential Pressure (bar) -3.30958e+06 -5.62398e+03 Step Time 1313 1313.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07943e+03 6.04047e+03 1.98772e+04 2.52158e+02 -1.05853e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08256e+03 1.17051e+05 5.30544e+05 -4.00043e+06 1.08754e+04 Potential Pressure (bar) -3.30968e+06 -5.62252e+03 Step Time 1314 1314.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92916e+03 6.01197e+03 1.98773e+04 2.52191e+02 -1.05869e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08459e+03 1.17047e+05 5.30569e+05 -4.00047e+06 1.08753e+04 Potential Pressure (bar) -3.30988e+06 -5.61933e+03 Step Time 1315 1315.00000 Step Time 1316 1316.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95931e+03 6.01968e+03 1.98773e+04 2.52162e+02 -1.05865e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08319e+03 1.17049e+05 5.30624e+05 -4.00058e+06 1.08740e+04 Potential Pressure (bar) -3.30990e+06 -5.61983e+03 Step Time 1317 1317.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94603e+03 6.01368e+03 1.98774e+04 2.52200e+02 -1.05880e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08469e+03 1.17046e+05 5.30662e+05 -4.00065e+06 1.08738e+04 Potential Pressure (bar) -3.30995e+06 -5.61788e+03 Step Time 1318 1318.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99319e+03 6.02638e+03 1.98773e+04 2.52157e+02 -1.05872e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08271e+03 1.17049e+05 5.30711e+05 -4.00076e+06 1.08726e+04 Potential Pressure (bar) -3.30995e+06 -5.61903e+03 Step Time 1319 1319.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98377e+03 6.01786e+03 1.98774e+04 2.52211e+02 -1.05891e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08492e+03 1.17045e+05 5.30752e+05 -4.00082e+06 1.08726e+04 Potential Pressure (bar) -3.31000e+06 -5.61653e+03 Step Time 1320 1320.00000 Step Time 1321 1321.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92317e+03 6.01285e+03 1.98773e+04 2.52173e+02 -1.05885e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08343e+03 1.17047e+05 5.30775e+05 -4.00088e+06 1.08717e+04 Potential Pressure (bar) -3.31009e+06 -5.61693e+03 Step Time 1322 1322.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01967e+03 6.02237e+03 1.98774e+04 2.52213e+02 -1.05908e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08482e+03 1.17044e+05 5.30907e+05 -4.00112e+06 1.08702e+04 Potential Pressure (bar) -3.31010e+06 -5.61437e+03 Step Time 1323 1323.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93914e+03 6.01610e+03 1.98773e+04 2.52159e+02 -1.05898e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08274e+03 1.17047e+05 5.30933e+05 -4.00119e+06 1.08691e+04 Potential Pressure (bar) -3.31023e+06 -5.61512e+03 Step Time 1324 1324.00000 Step Time 1325 1325.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93718e+03 6.01263e+03 1.98774e+04 2.52186e+02 -1.05909e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08385e+03 1.17045e+05 5.30973e+05 -4.00126e+06 1.08687e+04 Potential Pressure (bar) -3.31027e+06 -5.61352e+03 Step Time 1326 1326.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95749e+03 6.01965e+03 1.98773e+04 2.52161e+02 -1.05905e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08233e+03 1.17047e+05 5.31019e+05 -4.00136e+06 1.08677e+04 Potential Pressure (bar) -3.31030e+06 -5.61419e+03 Step Time 1327 1327.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95891e+03 6.01495e+03 1.98774e+04 2.52199e+02 -1.05920e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08396e+03 1.17044e+05 5.31061e+05 -4.00143e+06 1.08674e+04 Potential Pressure (bar) -3.31033e+06 -5.61219e+03 Step Time 1328 1328.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99354e+03 6.02672e+03 1.98773e+04 2.52160e+02 -1.05911e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08184e+03 1.17047e+05 5.31106e+05 -4.00153e+06 1.08663e+04 Potential Pressure (bar) -3.31034e+06 -5.61350e+03 Step Time 1329 1329.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00604e+03 6.02025e+03 1.98775e+04 2.52210e+02 -1.05930e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08422e+03 1.17043e+05 5.31148e+05 -4.00160e+06 1.08662e+04 Potential Pressure (bar) -3.31036e+06 -5.61088e+03 Step Time 1330 1330.00000 Step Time 1331 1331.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92216e+03 6.01228e+03 1.98774e+04 2.52172e+02 -1.05924e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08263e+03 1.17045e+05 5.31169e+05 -4.00165e+06 1.08652e+04 Potential Pressure (bar) -3.31048e+06 -5.61132e+03 Step Time 1332 1332.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04845e+03 6.02584e+03 1.98775e+04 2.52215e+02 -1.05953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08400e+03 1.17041e+05 5.31361e+05 -4.00202e+06 1.08627e+04 Potential Pressure (bar) -3.31052e+06 -5.60795e+03 Step Time 1333 1333.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93770e+03 6.01535e+03 1.98773e+04 2.52163e+02 -1.05943e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08177e+03 1.17045e+05 5.31385e+05 -4.00208e+06 1.08617e+04 Potential Pressure (bar) -3.31069e+06 -5.60871e+03 Step Time 1334 1334.00000 Step Time 1335 1335.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94626e+03 6.01337e+03 1.98774e+04 2.52190e+02 -1.05955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08297e+03 1.17042e+05 5.31432e+05 -4.00217e+06 1.08612e+04 Potential Pressure (bar) -3.31072e+06 -5.60700e+03 Step Time 1336 1336.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95630e+03 6.01904e+03 1.98773e+04 2.52164e+02 -1.05950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08135e+03 1.17045e+05 5.31471e+05 -4.00226e+06 1.08603e+04 Potential Pressure (bar) -3.31075e+06 -5.60781e+03 Step Time 1337 1337.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97395e+03 6.01645e+03 1.98774e+04 2.52198e+02 -1.05964e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08311e+03 1.17041e+05 5.31517e+05 -4.00233e+06 1.08599e+04 Potential Pressure (bar) -3.31077e+06 -5.60567e+03 Step Time 1338 1338.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99416e+03 6.02658e+03 1.98773e+04 2.52161e+02 -1.05956e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08084e+03 1.17045e+05 5.31557e+05 -4.00243e+06 1.08589e+04 Potential Pressure (bar) -3.31079e+06 -5.60713e+03 Step Time 1339 1339.00000 Step Time 1340 1340.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92154e+03 6.01101e+03 1.98774e+04 2.52179e+02 -1.05966e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08205e+03 1.17043e+05 5.31579e+05 -4.00246e+06 1.08586e+04 Potential Pressure (bar) -3.31090e+06 -5.60523e+03 Step Time 1341 1341.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03281e+03 6.03209e+03 1.98773e+04 2.52151e+02 -1.05976e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08008e+03 1.17045e+05 5.31786e+05 -4.00288e+06 1.08550e+04 Potential Pressure (bar) -3.31098e+06 -5.60444e+03 Step Time 1342 1342.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93066e+03 6.01141e+03 1.98774e+04 2.52182e+02 -1.05990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08184e+03 1.17041e+05 5.31811e+05 -4.00291e+06 1.08548e+04 Potential Pressure (bar) -3.31111e+06 -5.60179e+03 Step Time 1343 1343.00000 Step Time 1344 1344.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94772e+03 6.01669e+03 1.98773e+04 2.52155e+02 -1.05987e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08062e+03 1.17043e+05 5.31860e+05 -4.00302e+06 1.08538e+04 Potential Pressure (bar) -3.31114e+06 -5.60217e+03 Step Time 1345 1345.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94397e+03 6.01272e+03 1.98774e+04 2.52189e+02 -1.06000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08190e+03 1.17040e+05 5.31899e+05 -4.00308e+06 1.08534e+04 Potential Pressure (bar) -3.31118e+06 -5.60040e+03 Step Time 1346 1346.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97190e+03 6.02146e+03 1.98773e+04 2.52154e+02 -1.05994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08018e+03 1.17043e+05 5.31945e+05 -4.00318e+06 1.08523e+04 Potential Pressure (bar) -3.31120e+06 -5.60134e+03 Step Time 1347 1347.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97308e+03 6.01589e+03 1.98774e+04 2.52202e+02 -1.06010e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08207e+03 1.17039e+05 5.31986e+05 -4.00325e+06 1.08522e+04 Potential Pressure (bar) -3.31123e+06 -5.59908e+03 Step Time 1348 1348.00000 Step Time 1349 1349.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92350e+03 6.01178e+03 1.98773e+04 2.52171e+02 -1.06005e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08079e+03 1.17041e+05 5.32007e+05 -4.00331e+06 1.08514e+04 Potential Pressure (bar) -3.31132e+06 -5.59944e+03 Step Time 1350 1350.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00026e+03 6.01935e+03 1.98773e+04 2.52208e+02 -1.06029e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08189e+03 1.17038e+05 5.32168e+05 -4.00361e+06 1.08492e+04 Potential Pressure (bar) -3.31138e+06 -5.59650e+03 Step Time 1351 1351.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93441e+03 6.01400e+03 1.98772e+04 2.52163e+02 -1.06021e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08009e+03 1.17041e+05 5.32192e+05 -4.00367e+06 1.08482e+04 Potential Pressure (bar) -3.31149e+06 -5.59719e+03 Step Time 1352 1352.00000 Step Time 1353 1353.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93681e+03 6.01183e+03 1.98773e+04 2.52183e+02 -1.06031e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08103e+03 1.17039e+05 5.32235e+05 -4.00374e+06 1.08477e+04 Potential Pressure (bar) -3.31152e+06 -5.59571e+03 Step Time 1354 1354.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94722e+03 6.01655e+03 1.98772e+04 2.52161e+02 -1.06027e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07971e+03 1.17041e+05 5.32277e+05 -4.00384e+06 1.08468e+04 Potential Pressure (bar) -3.31156e+06 -5.59624e+03 Step Time 1355 1355.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95381e+03 6.01364e+03 1.98772e+04 2.52194e+02 -1.06040e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08110e+03 1.17038e+05 5.32320e+05 -4.00391e+06 1.08464e+04 Potential Pressure (bar) -3.31159e+06 -5.59437e+03 Step Time 1356 1356.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97292e+03 6.02158e+03 1.98771e+04 2.52157e+02 -1.06033e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07925e+03 1.17041e+05 5.32362e+05 -4.00400e+06 1.08453e+04 Potential Pressure (bar) -3.31161e+06 -5.59544e+03 Step Time 1357 1357.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98988e+03 6.01767e+03 1.98772e+04 2.52203e+02 -1.06050e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08129e+03 1.17037e+05 5.32405e+05 -4.00408e+06 1.08451e+04 Potential Pressure (bar) -3.31163e+06 -5.59309e+03 Step Time 1358 1358.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02452e+03 6.03193e+03 1.98771e+04 2.52159e+02 -1.06038e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07870e+03 1.17041e+05 5.32446e+05 -4.00418e+06 1.08439e+04 Potential Pressure (bar) -3.31164e+06 -5.59496e+03 Step Time 1359 1359.00000 Step Time 1360 1360.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92301e+03 6.01069e+03 1.98772e+04 2.52180e+02 -1.06050e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08010e+03 1.17038e+05 5.32467e+05 -4.00421e+06 1.08436e+04 Potential Pressure (bar) -3.31178e+06 -5.59266e+03 Step Time 1361 1361.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07875e+03 6.03893e+03 1.98770e+04 2.52146e+02 -1.06062e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07777e+03 1.17040e+05 5.32719e+05 -4.00471e+06 1.08391e+04 Potential Pressure (bar) -3.31185e+06 -5.59172e+03 Step Time 1362 1362.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93392e+03 6.01113e+03 1.98771e+04 2.52185e+02 -1.06078e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07982e+03 1.17036e+05 5.32743e+05 -4.00475e+06 1.08392e+04 Potential Pressure (bar) -3.31204e+06 -5.58859e+03 Step Time 1363 1363.00000 Step Time 1364 1364.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96130e+03 6.01848e+03 1.98770e+04 2.52159e+02 -1.06074e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07843e+03 1.17038e+05 5.32794e+05 -4.00486e+06 1.08378e+04 Potential Pressure (bar) -3.31206e+06 -5.58910e+03 Step Time 1365 1365.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95109e+03 6.01289e+03 1.98770e+04 2.52198e+02 -1.06088e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07993e+03 1.17035e+05 5.32832e+05 -4.00492e+06 1.08377e+04 Potential Pressure (bar) -3.31210e+06 -5.58720e+03 Step Time 1366 1366.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99443e+03 6.02503e+03 1.98769e+04 2.52158e+02 -1.06079e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07796e+03 1.17038e+05 5.32879e+05 -4.00502e+06 1.08364e+04 Potential Pressure (bar) -3.31210e+06 -5.58833e+03 Step Time 1367 1367.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98923e+03 6.01712e+03 1.98770e+04 2.52214e+02 -1.06098e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08017e+03 1.17034e+05 5.32918e+05 -4.00508e+06 1.08365e+04 Potential Pressure (bar) -3.31214e+06 -5.58588e+03 Step Time 1368 1368.00000 Step Time 1369 1369.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92658e+03 6.01184e+03 1.98769e+04 2.52172e+02 -1.06091e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07870e+03 1.17036e+05 5.32940e+05 -4.00514e+06 1.08355e+04 Potential Pressure (bar) -3.31224e+06 -5.58628e+03 Step Time 1370 1370.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02525e+03 6.02165e+03 1.98770e+04 2.52225e+02 -1.06114e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.08008e+03 1.17033e+05 5.33075e+05 -4.00539e+06 1.08337e+04 Potential Pressure (bar) -3.31225e+06 -5.58360e+03 Step Time 1371 1371.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94188e+03 6.01497e+03 1.98768e+04 2.52173e+02 -1.06104e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07801e+03 1.17036e+05 5.33100e+05 -4.00546e+06 1.08327e+04 Potential Pressure (bar) -3.31238e+06 -5.58440e+03 Step Time 1372 1372.00000 Step Time 1373 1373.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94200e+03 6.01180e+03 1.98769e+04 2.52195e+02 -1.06115e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07911e+03 1.17034e+05 5.33140e+05 -4.00552e+06 1.08322e+04 Potential Pressure (bar) -3.31242e+06 -5.58280e+03 Step Time 1374 1374.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95964e+03 6.01842e+03 1.98768e+04 2.52165e+02 -1.06110e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07761e+03 1.17036e+05 5.33183e+05 -4.00562e+06 1.08312e+04 Potential Pressure (bar) -3.31245e+06 -5.58352e+03 Step Time 1375 1375.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96406e+03 6.01419e+03 1.98768e+04 2.52203e+02 -1.06124e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07923e+03 1.17033e+05 5.33224e+05 -4.00569e+06 1.08308e+04 Potential Pressure (bar) -3.31248e+06 -5.58155e+03 Step Time 1376 1376.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99477e+03 6.02533e+03 1.98767e+04 2.52165e+02 -1.06115e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07712e+03 1.17037e+05 5.33266e+05 -4.00578e+06 1.08298e+04 Potential Pressure (bar) -3.31249e+06 -5.58286e+03 Step Time 1377 1377.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01158e+03 6.01954e+03 1.98768e+04 2.52221e+02 -1.06134e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07950e+03 1.17032e+05 5.33308e+05 -4.00585e+06 1.08297e+04 Potential Pressure (bar) -3.31250e+06 -5.58023e+03 Step Time 1378 1378.00000 Step Time 1379 1379.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92569e+03 6.01129e+03 1.98767e+04 2.52184e+02 -1.06127e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07792e+03 1.17034e+05 5.33328e+05 -4.00590e+06 1.08287e+04 Potential Pressure (bar) -3.31263e+06 -5.58070e+03 Step Time 1380 1380.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05399e+03 6.02518e+03 1.98767e+04 2.52226e+02 -1.06156e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07925e+03 1.17030e+05 5.33532e+05 -4.00629e+06 1.08257e+04 Potential Pressure (bar) -3.31267e+06 -5.57714e+03 Step Time 1381 1381.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94060e+03 6.01419e+03 1.98765e+04 2.52178e+02 -1.06146e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07704e+03 1.17034e+05 5.33555e+05 -4.00635e+06 1.08246e+04 Potential Pressure (bar) -3.31284e+06 -5.57793e+03 Step Time 1382 1382.00000 Step Time 1383 1383.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95120e+03 6.01257e+03 1.98766e+04 2.52207e+02 -1.06157e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07824e+03 1.17032e+05 5.33600e+05 -4.00643e+06 1.08241e+04 Potential Pressure (bar) -3.31286e+06 -5.57618e+03 Step Time 1384 1384.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95852e+03 6.01780e+03 1.98765e+04 2.52179e+02 -1.06151e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07664e+03 1.17034e+05 5.33638e+05 -4.00651e+06 1.08232e+04 Potential Pressure (bar) -3.31290e+06 -5.57707e+03 Step Time 1385 1385.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97923e+03 6.01569e+03 1.98766e+04 2.52217e+02 -1.06166e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07838e+03 1.17031e+05 5.33683e+05 -4.00659e+06 1.08228e+04 Potential Pressure (bar) -3.31291e+06 -5.57491e+03 Step Time 1386 1386.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99538e+03 6.02519e+03 1.98764e+04 2.52176e+02 -1.06157e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07613e+03 1.17035e+05 5.33721e+05 -4.00668e+06 1.08217e+04 Potential Pressure (bar) -3.31294e+06 -5.57646e+03 Step Time 1387 1387.00000 Step Time 1388 1388.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92568e+03 6.01010e+03 1.98765e+04 2.52198e+02 -1.06167e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07734e+03 1.17032e+05 5.33743e+05 -4.00671e+06 1.08214e+04 Potential Pressure (bar) -3.31304e+06 -5.57450e+03 Step Time 1389 1389.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03278e+03 6.03066e+03 1.98762e+04 2.52172e+02 -1.06173e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07545e+03 1.17034e+05 5.33920e+05 -4.00707e+06 1.08181e+04 Potential Pressure (bar) -3.31310e+06 -5.57411e+03 Step Time 1390 1390.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93538e+03 6.01061e+03 1.98763e+04 2.52204e+02 -1.06187e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07720e+03 1.17030e+05 5.33945e+05 -4.00711e+06 1.08180e+04 Potential Pressure (bar) -3.31323e+06 -5.57143e+03 Step Time 1391 1391.00000 Step Time 1392 1392.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94989e+03 6.01555e+03 1.98762e+04 2.52185e+02 -1.06184e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07599e+03 1.17032e+05 5.33990e+05 -4.00721e+06 1.08169e+04 Potential Pressure (bar) -3.31326e+06 -5.57188e+03 Step Time 1393 1393.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94896e+03 6.01197e+03 1.98763e+04 2.52215e+02 -1.06196e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07726e+03 1.17030e+05 5.34028e+05 -4.00728e+06 1.08165e+04 Potential Pressure (bar) -3.31330e+06 -5.57014e+03 Step Time 1394 1394.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97335e+03 6.02016e+03 1.98761e+04 2.52183e+02 -1.06189e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07556e+03 1.17032e+05 5.34071e+05 -4.00737e+06 1.08154e+04 Potential Pressure (bar) -3.31332e+06 -5.57108e+03 Step Time 1395 1395.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97844e+03 6.01521e+03 1.98762e+04 2.52226e+02 -1.06205e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07743e+03 1.17029e+05 5.34112e+05 -4.00744e+06 1.08153e+04 Potential Pressure (bar) -3.31334e+06 -5.56885e+03 Step Time 1396 1396.00000 Step Time 1397 1397.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92697e+03 6.01083e+03 1.98761e+04 2.52200e+02 -1.06200e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07617e+03 1.17031e+05 5.34132e+05 -4.00749e+06 1.08144e+04 Potential Pressure (bar) -3.31343e+06 -5.56921e+03 Step Time 1398 1398.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00579e+03 6.01867e+03 1.98760e+04 2.52230e+02 -1.06223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07722e+03 1.17027e+05 5.34306e+05 -4.00781e+06 1.08118e+04 Potential Pressure (bar) -3.31350e+06 -5.56608e+03 Step Time 1399 1399.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93733e+03 6.01293e+03 1.98759e+04 2.52194e+02 -1.06216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07544e+03 1.17030e+05 5.34329e+05 -4.00787e+06 1.08109e+04 Potential Pressure (bar) -3.31361e+06 -5.56676e+03 Step Time 1400 1400.00000 Step Time 1401 1401.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94159e+03 6.01104e+03 1.98759e+04 2.52216e+02 -1.06225e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07638e+03 1.17028e+05 5.34372e+05 -4.00795e+06 1.08103e+04 Potential Pressure (bar) -3.31364e+06 -5.56526e+03 Step Time 1402 1402.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94957e+03 6.01539e+03 1.98759e+04 2.52194e+02 -1.06222e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07508e+03 1.17030e+05 5.34411e+05 -4.00803e+06 1.08094e+04 Potential Pressure (bar) -3.31367e+06 -5.56584e+03 Step Time 1403 1403.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95892e+03 6.01290e+03 1.98759e+04 2.52226e+02 -1.06234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07645e+03 1.17027e+05 5.34454e+05 -4.00810e+06 1.08090e+04 Potential Pressure (bar) -3.31370e+06 -5.56401e+03 Step Time 1404 1404.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97442e+03 6.02029e+03 1.98758e+04 2.52194e+02 -1.06228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07462e+03 1.17030e+05 5.34492e+05 -4.00819e+06 1.08079e+04 Potential Pressure (bar) -3.31373e+06 -5.56511e+03 Step Time 1405 1405.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99535e+03 6.01699e+03 1.98758e+04 2.52240e+02 -1.06243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07666e+03 1.17026e+05 5.34535e+05 -4.00826e+06 1.08076e+04 Potential Pressure (bar) -3.31374e+06 -5.56273e+03 Step Time 1406 1406.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02469e+03 6.03040e+03 1.98757e+04 2.52192e+02 -1.06232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07407e+03 1.17031e+05 5.34573e+05 -4.00836e+06 1.08065e+04 Potential Pressure (bar) -3.31375e+06 -5.56463e+03 Step Time 1407 1407.00000 Step Time 1408 1408.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92715e+03 6.00982e+03 1.98757e+04 2.52215e+02 -1.06243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07547e+03 1.17028e+05 5.34594e+05 -4.00839e+06 1.08062e+04 Potential Pressure (bar) -3.31388e+06 -5.56233e+03 Step Time 1409 1409.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07667e+03 6.03755e+03 1.98754e+04 2.52198e+02 -1.06251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07327e+03 1.17030e+05 5.34807e+05 -4.00881e+06 1.08021e+04 Potential Pressure (bar) -3.31392e+06 -5.56191e+03 Step Time 1410 1410.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93874e+03 6.01044e+03 1.98755e+04 2.52229e+02 -1.06267e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07529e+03 1.17026e+05 5.34830e+05 -4.00885e+06 1.08020e+04 Potential Pressure (bar) -3.31410e+06 -5.55880e+03 Step Time 1411 1411.00000 Step Time 1412 1412.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96272e+03 6.01727e+03 1.98754e+04 2.52204e+02 -1.06262e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07390e+03 1.17028e+05 5.34877e+05 -4.00895e+06 1.08008e+04 Potential Pressure (bar) -3.31412e+06 -5.55939e+03 Step Time 1413 1413.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95624e+03 6.01224e+03 1.98754e+04 2.52240e+02 -1.06276e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07540e+03 1.17025e+05 5.34914e+05 -4.00901e+06 1.08006e+04 Potential Pressure (bar) -3.31416e+06 -5.55745e+03 Step Time 1414 1414.00000 Step Time 1415 1415.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92893e+03 6.01057e+03 1.98753e+04 2.52214e+02 -1.06271e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07438e+03 1.17027e+05 5.34936e+05 -4.00906e+06 1.07998e+04 Potential Pressure (bar) -3.31422e+06 -5.55778e+03 Step Time 1416 1416.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97319e+03 6.01421e+03 1.98753e+04 2.52245e+02 -1.06289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07527e+03 1.17024e+05 5.35056e+05 -4.00928e+06 1.07981e+04 Potential Pressure (bar) -3.31428e+06 -5.55536e+03 Step Time 1417 1417.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93687e+03 6.01228e+03 1.98752e+04 2.52217e+02 -1.06283e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07382e+03 1.17027e+05 5.35081e+05 -4.00934e+06 1.07972e+04 Potential Pressure (bar) -3.31435e+06 -5.55591e+03 Step Time 1418 1418.00000 Step Time 1419 1419.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93502e+03 6.00996e+03 1.98752e+04 2.52233e+02 -1.06291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07456e+03 1.17025e+05 5.35118e+05 -4.00941e+06 1.07966e+04 Potential Pressure (bar) -3.31438e+06 -5.55470e+03 Step Time 1420 1420.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94591e+03 6.01406e+03 1.98751e+04 2.52212e+02 -1.06289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07348e+03 1.17027e+05 5.35161e+05 -4.00950e+06 1.07956e+04 Potential Pressure (bar) -3.31442e+06 -5.55500e+03 Step Time 1421 1421.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94508e+03 6.01093e+03 1.98751e+04 2.52239e+02 -1.06300e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07457e+03 1.17024e+05 5.35200e+05 -4.00956e+06 1.07952e+04 Potential Pressure (bar) -3.31445e+06 -5.55343e+03 Step Time 1422 1422.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96358e+03 6.01753e+03 1.98750e+04 2.52216e+02 -1.06295e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07308e+03 1.17027e+05 5.35241e+05 -4.00965e+06 1.07941e+04 Potential Pressure (bar) -3.31447e+06 -5.55417e+03 Step Time 1423 1423.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96690e+03 6.01327e+03 1.98750e+04 2.52257e+02 -1.06309e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07470e+03 1.17023e+05 5.35280e+05 -4.00972e+06 1.07938e+04 Potential Pressure (bar) -3.31450e+06 -5.55216e+03 Step Time 1424 1424.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99853e+03 6.02444e+03 1.98748e+04 2.52212e+02 -1.06299e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07260e+03 1.17027e+05 5.35322e+05 -4.00981e+06 1.07926e+04 Potential Pressure (bar) -3.31451e+06 -5.55354e+03 Step Time 1425 1425.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01387e+03 6.01855e+03 1.98749e+04 2.52269e+02 -1.06318e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07497e+03 1.17022e+05 5.35362e+05 -4.00988e+06 1.07926e+04 Potential Pressure (bar) -3.31453e+06 -5.55091e+03 Step Time 1426 1426.00000 Step Time 1427 1427.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92957e+03 6.01052e+03 1.98748e+04 2.52231e+02 -1.06311e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07339e+03 1.17025e+05 5.35381e+05 -4.00993e+06 1.07916e+04 Potential Pressure (bar) -3.31465e+06 -5.55139e+03 Step Time 1428 1428.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05624e+03 6.02428e+03 1.98746e+04 2.52284e+02 -1.06336e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07474e+03 1.17021e+05 5.35573e+05 -4.01029e+06 1.07887e+04 Potential Pressure (bar) -3.31469e+06 -5.54794e+03 Step Time 1429 1429.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94442e+03 6.01346e+03 1.98745e+04 2.52232e+02 -1.06328e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07253e+03 1.17025e+05 5.35595e+05 -4.01035e+06 1.07876e+04 Potential Pressure (bar) -3.31484e+06 -5.54875e+03 Step Time 1430 1430.00000 Step Time 1431 1431.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95455e+03 6.01177e+03 1.98745e+04 2.52258e+02 -1.06339e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07372e+03 1.17022e+05 5.35638e+05 -4.01042e+06 1.07870e+04 Potential Pressure (bar) -3.31487e+06 -5.54703e+03 Step Time 1432 1432.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96229e+03 6.01707e+03 1.98744e+04 2.52230e+02 -1.06334e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07213e+03 1.17025e+05 5.35675e+05 -4.01050e+06 1.07861e+04 Potential Pressure (bar) -3.31490e+06 -5.54796e+03 Step Time 1433 1433.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98227e+03 6.01486e+03 1.98744e+04 2.52271e+02 -1.06347e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07387e+03 1.17021e+05 5.35718e+05 -4.01057e+06 1.07857e+04 Potential Pressure (bar) -3.31492e+06 -5.54581e+03 Step Time 1434 1434.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99901e+03 6.02441e+03 1.98743e+04 2.52232e+02 -1.06339e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07162e+03 1.17025e+05 5.35755e+05 -4.01066e+06 1.07846e+04 Potential Pressure (bar) -3.31494e+06 -5.54732e+03 Step Time 1435 1435.00000 Step Time 1436 1436.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.92940e+03 6.00937e+03 1.98743e+04 2.52252e+02 -1.06348e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07283e+03 1.17023e+05 5.35775e+05 -4.01070e+06 1.07843e+04 Potential Pressure (bar) -3.31504e+06 -5.54541e+03 Step Time 1437 1437.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03623e+03 6.02985e+03 1.98740e+04 2.52231e+02 -1.06354e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07092e+03 1.17025e+05 5.35949e+05 -4.01104e+06 1.07808e+04 Potential Pressure (bar) -3.31509e+06 -5.54503e+03 Step Time 1438 1438.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93894e+03 6.00986e+03 1.98740e+04 2.52266e+02 -1.06368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07267e+03 1.17021e+05 5.35973e+05 -4.01108e+06 1.07807e+04 Potential Pressure (bar) -3.31522e+06 -5.54242e+03 Step Time 1439 1439.00000 Step Time 1440 1440.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95370e+03 6.01480e+03 1.98739e+04 2.52241e+02 -1.06364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07146e+03 1.17023e+05 5.36016e+05 -4.01117e+06 1.07796e+04 Potential Pressure (bar) -3.31525e+06 -5.54285e+03 Step Time 1441 1441.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95239e+03 6.01122e+03 1.98739e+04 2.52273e+02 -1.06376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07273e+03 1.17020e+05 5.36054e+05 -4.01123e+06 1.07793e+04 Potential Pressure (bar) -3.31528e+06 -5.54112e+03 Step Time 1442 1442.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97703e+03 6.01940e+03 1.98738e+04 2.52240e+02 -1.06370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07103e+03 1.17023e+05 5.36095e+05 -4.01133e+06 1.07780e+04 Potential Pressure (bar) -3.31530e+06 -5.54208e+03 Step Time 1443 1443.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98158e+03 6.01444e+03 1.98738e+04 2.52287e+02 -1.06385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07290e+03 1.17019e+05 5.36134e+05 -4.01139e+06 1.07778e+04 Potential Pressure (bar) -3.31532e+06 -5.53983e+03 Step Time 1444 1444.00000 Step Time 1445 1445.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93079e+03 6.01011e+03 1.98737e+04 2.52256e+02 -1.06380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07165e+03 1.17021e+05 5.36154e+05 -4.01143e+06 1.07771e+04 Potential Pressure (bar) -3.31541e+06 -5.54029e+03 Step Time 1446 1446.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00873e+03 6.01795e+03 1.98735e+04 2.52296e+02 -1.06404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07266e+03 1.17018e+05 5.36319e+05 -4.01175e+06 1.07744e+04 Potential Pressure (bar) -3.31548e+06 -5.53719e+03 Step Time 1447 1447.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94109e+03 6.01223e+03 1.98734e+04 2.52252e+02 -1.06395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07090e+03 1.17021e+05 5.36342e+05 -4.01181e+06 1.07734e+04 Potential Pressure (bar) -3.31558e+06 -5.53791e+03 Step Time 1448 1448.00000 Step Time 1449 1449.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94518e+03 6.01035e+03 1.98734e+04 2.52278e+02 -1.06404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07183e+03 1.17019e+05 5.36383e+05 -4.01188e+06 1.07728e+04 Potential Pressure (bar) -3.31562e+06 -5.53644e+03 Step Time 1450 1450.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95328e+03 6.01468e+03 1.98733e+04 2.52253e+02 -1.06401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07054e+03 1.17021e+05 5.36421e+05 -4.01196e+06 1.07719e+04 Potential Pressure (bar) -3.31565e+06 -5.53702e+03 Step Time 1451 1451.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96238e+03 6.01219e+03 1.98733e+04 2.52285e+02 -1.06413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07191e+03 1.17018e+05 5.36462e+05 -4.01203e+06 1.07715e+04 Potential Pressure (bar) -3.31567e+06 -5.53520e+03 Step Time 1452 1452.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97798e+03 6.01958e+03 1.98731e+04 2.52251e+02 -1.06406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07008e+03 1.17022e+05 5.36499e+05 -4.01211e+06 1.07704e+04 Potential Pressure (bar) -3.31569e+06 -5.53630e+03 Step Time 1453 1453.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99850e+03 6.01625e+03 1.98732e+04 2.52302e+02 -1.06422e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07211e+03 1.17017e+05 5.36540e+05 -4.01218e+06 1.07701e+04 Potential Pressure (bar) -3.31570e+06 -5.53396e+03 Step Time 1454 1454.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02793e+03 6.02963e+03 1.98730e+04 2.52251e+02 -1.06410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06951e+03 1.17022e+05 5.36577e+05 -4.01227e+06 1.07690e+04 Potential Pressure (bar) -3.31571e+06 -5.53587e+03 Step Time 1455 1455.00000 Step Time 1456 1456.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93092e+03 6.00916e+03 1.98731e+04 2.52276e+02 -1.06421e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07091e+03 1.17019e+05 5.36597e+05 -4.01230e+06 1.07687e+04 Potential Pressure (bar) -3.31584e+06 -5.53361e+03 Step Time 1457 1457.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07955e+03 6.03675e+03 1.98726e+04 2.52256e+02 -1.06428e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06869e+03 1.17022e+05 5.36803e+05 -4.01271e+06 1.07645e+04 Potential Pressure (bar) -3.31587e+06 -5.53325e+03 Step Time 1458 1458.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94242e+03 6.00979e+03 1.98727e+04 2.52294e+02 -1.06444e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07070e+03 1.17018e+05 5.36826e+05 -4.01274e+06 1.07644e+04 Potential Pressure (bar) -3.31605e+06 -5.53013e+03 Step Time 1459 1459.00000 Step Time 1460 1460.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96631e+03 6.01660e+03 1.98725e+04 2.52260e+02 -1.06440e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06931e+03 1.17020e+05 5.36872e+05 -4.01283e+06 1.07632e+04 Potential Pressure (bar) -3.31607e+06 -5.53070e+03 Step Time 1461 1461.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95981e+03 6.01158e+03 1.98725e+04 2.52303e+02 -1.06453e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07080e+03 1.17017e+05 5.36907e+05 -4.01289e+06 1.07629e+04 Potential Pressure (bar) -3.31610e+06 -5.52880e+03 Step Time 1462 1462.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99820e+03 6.02293e+03 1.98724e+04 2.52260e+02 -1.06445e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06884e+03 1.17020e+05 5.36949e+05 -4.01299e+06 1.07617e+04 Potential Pressure (bar) -3.31611e+06 -5.53004e+03 Step Time 1463 1463.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99807e+03 6.01584e+03 1.98724e+04 2.52319e+02 -1.06462e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07103e+03 1.17016e+05 5.36986e+05 -4.01305e+06 1.07616e+04 Potential Pressure (bar) -3.31614e+06 -5.52757e+03 Step Time 1464 1464.00000 Step Time 1465 1465.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93363e+03 6.01026e+03 1.98723e+04 2.52280e+02 -1.06456e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06957e+03 1.17018e+05 5.37006e+05 -4.01310e+06 1.07606e+04 Potential Pressure (bar) -3.31624e+06 -5.52803e+03 Step Time 1466 1466.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03397e+03 6.02054e+03 1.98722e+04 2.52327e+02 -1.06478e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07088e+03 1.17015e+05 5.37146e+05 -4.01335e+06 1.07586e+04 Potential Pressure (bar) -3.31625e+06 -5.52528e+03 Step Time 1467 1467.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94802e+03 6.01323e+03 1.98720e+04 2.52272e+02 -1.06468e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06882e+03 1.17018e+05 5.37168e+05 -4.01341e+06 1.07575e+04 Potential Pressure (bar) -3.31638e+06 -5.52609e+03 Step Time 1468 1468.00000 Step Time 1469 1469.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95058e+03 6.01055e+03 1.98720e+04 2.52304e+02 -1.06479e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06992e+03 1.17016e+05 5.37207e+05 -4.01348e+06 1.07570e+04 Potential Pressure (bar) -3.31641e+06 -5.52453e+03 Step Time 1470 1470.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96492e+03 6.01655e+03 1.98718e+04 2.52274e+02 -1.06473e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06842e+03 1.17018e+05 5.37245e+05 -4.01356e+06 1.07559e+04 Potential Pressure (bar) -3.31643e+06 -5.52529e+03 Step Time 1471 1471.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97292e+03 6.01299e+03 1.98719e+04 2.52315e+02 -1.06487e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07004e+03 1.17015e+05 5.37285e+05 -4.01363e+06 1.07556e+04 Potential Pressure (bar) -3.31646e+06 -5.52328e+03 Step Time 1472 1472.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99862e+03 6.02324e+03 1.98717e+04 2.52275e+02 -1.06478e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06793e+03 1.17018e+05 5.37323e+05 -4.01371e+06 1.07544e+04 Potential Pressure (bar) -3.31647e+06 -5.52467e+03 Step Time 1473 1473.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02052e+03 6.01836e+03 1.98718e+04 2.52330e+02 -1.06497e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.07029e+03 1.17014e+05 5.37362e+05 -4.01378e+06 1.07543e+04 Potential Pressure (bar) -3.31648e+06 -5.52209e+03 Step Time 1474 1474.00000 Step Time 1475 1475.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93294e+03 6.00983e+03 1.98716e+04 2.52291e+02 -1.06490e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06872e+03 1.17016e+05 5.37381e+05 -4.01382e+06 1.07535e+04 Potential Pressure (bar) -3.31660e+06 -5.52255e+03 Step Time 1476 1476.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06263e+03 6.02417e+03 1.98713e+04 2.52347e+02 -1.06520e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06993e+03 1.17012e+05 5.37600e+05 -4.01423e+06 1.07497e+04 Potential Pressure (bar) -3.31666e+06 -5.51873e+03 Step Time 1477 1477.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94701e+03 6.01253e+03 1.98711e+04 2.52292e+02 -1.06509e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06773e+03 1.17016e+05 5.37621e+05 -4.01429e+06 1.07487e+04 Potential Pressure (bar) -3.31681e+06 -5.51954e+03 Step Time 1478 1478.00000 Step Time 1479 1479.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95997e+03 6.01141e+03 1.98711e+04 2.52315e+02 -1.06520e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06892e+03 1.17014e+05 5.37665e+05 -4.01437e+06 1.07480e+04 Potential Pressure (bar) -3.31684e+06 -5.51783e+03 Step Time 1480 1480.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96397e+03 6.01605e+03 1.98710e+04 2.52287e+02 -1.06515e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06732e+03 1.17017e+05 5.37698e+05 -4.01444e+06 1.07471e+04 Potential Pressure (bar) -3.31687e+06 -5.51875e+03 Step Time 1481 1481.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98825e+03 6.01460e+03 1.98710e+04 2.52329e+02 -1.06528e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06905e+03 1.17013e+05 5.37741e+05 -4.01452e+06 1.07466e+04 Potential Pressure (bar) -3.31689e+06 -5.51658e+03 Step Time 1482 1482.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99935e+03 6.02315e+03 1.98708e+04 2.52290e+02 -1.06520e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06680e+03 1.17017e+05 5.37775e+05 -4.01460e+06 1.07456e+04 Potential Pressure (bar) -3.31691e+06 -5.51817e+03 Step Time 1483 1483.00000 Step Time 1484 1484.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93376e+03 6.00884e+03 1.98708e+04 2.52311e+02 -1.06529e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06800e+03 1.17014e+05 5.37796e+05 -4.01463e+06 1.07453e+04 Potential Pressure (bar) -3.31700e+06 -5.51626e+03 Step Time 1485 1485.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03489e+03 6.02863e+03 1.98704e+04 2.52283e+02 -1.06533e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06615e+03 1.17017e+05 5.37941e+05 -4.01492e+06 1.07423e+04 Potential Pressure (bar) -3.31703e+06 -5.51624e+03 Step Time 1486 1486.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94403e+03 6.00952e+03 1.98705e+04 2.52318e+02 -1.06546e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06789e+03 1.17013e+05 5.37965e+05 -4.01495e+06 1.07420e+04 Potential Pressure (bar) -3.31715e+06 -5.51359e+03 Step Time 1487 1487.00000 Step Time 1488 1488.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95544e+03 6.01394e+03 1.98704e+04 2.52294e+02 -1.06543e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06667e+03 1.17015e+05 5.38004e+05 -4.01504e+06 1.07411e+04 Potential Pressure (bar) -3.31718e+06 -5.51408e+03 Step Time 1489 1489.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95794e+03 6.01094e+03 1.98704e+04 2.52329e+02 -1.06555e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06793e+03 1.17012e+05 5.38042e+05 -4.01510e+06 1.07406e+04 Potential Pressure (bar) -3.31722e+06 -5.51239e+03 Step Time 1490 1490.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97779e+03 6.01834e+03 1.98702e+04 2.52292e+02 -1.06548e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06623e+03 1.17015e+05 5.38081e+05 -4.01519e+06 1.07396e+04 Potential Pressure (bar) -3.31723e+06 -5.51337e+03 Step Time 1491 1491.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98767e+03 6.01425e+03 1.98702e+04 2.52340e+02 -1.06563e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06808e+03 1.17011e+05 5.38118e+05 -4.01525e+06 1.07393e+04 Potential Pressure (bar) -3.31725e+06 -5.51113e+03 Step Time 1492 1492.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02242e+03 6.02724e+03 1.98700e+04 2.52290e+02 -1.06553e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06568e+03 1.17016e+05 5.38156e+05 -4.01534e+06 1.07380e+04 Potential Pressure (bar) -3.31725e+06 -5.51289e+03 Step Time 1493 1493.00000 Step Time 1494 1494.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93354e+03 6.00884e+03 1.98700e+04 2.52313e+02 -1.06563e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06697e+03 1.17013e+05 5.38174e+05 -4.01536e+06 1.07378e+04 Potential Pressure (bar) -3.31737e+06 -5.51080e+03 Step Time 1495 1495.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06980e+03 6.03354e+03 1.98694e+04 2.52298e+02 -1.06578e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06462e+03 1.17015e+05 5.38440e+05 -4.01588e+06 1.07323e+04 Potential Pressure (bar) -3.31747e+06 -5.50937e+03 Step Time 1496 1496.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94210e+03 6.00909e+03 1.98694e+04 2.52332e+02 -1.06592e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06653e+03 1.17012e+05 5.38461e+05 -4.01592e+06 1.07322e+04 Potential Pressure (bar) -3.31764e+06 -5.50652e+03 Step Time 1497 1497.00000 Step Time 1498 1498.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96827e+03 6.01587e+03 1.98692e+04 2.52300e+02 -1.06588e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06523e+03 1.17014e+05 5.38510e+05 -4.01602e+06 1.07309e+04 Potential Pressure (bar) -3.31766e+06 -5.50695e+03 Step Time 1499 1499.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95617e+03 6.01048e+03 1.98693e+04 2.52341e+02 -1.06601e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06660e+03 1.17011e+05 5.38542e+05 -4.01607e+06 1.07307e+04 Potential Pressure (bar) -3.31770e+06 -5.50518e+03 Step Time 1500 1500.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99691e+03 6.02159e+03 1.98691e+04 2.52297e+02 -1.06593e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06476e+03 1.17014e+05 5.38586e+05 -4.01617e+06 1.07294e+04 Potential Pressure (bar) -3.31770e+06 -5.50627e+03 Step Time 1501 1501.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98766e+03 6.01394e+03 1.98691e+04 2.52357e+02 -1.06610e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06679e+03 1.17010e+05 5.38621e+05 -4.01622e+06 1.07293e+04 Potential Pressure (bar) -3.31774e+06 -5.50388e+03 Step Time 1502 1502.00000 Step Time 1503 1503.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93755e+03 6.01003e+03 1.98690e+04 2.52316e+02 -1.06603e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06542e+03 1.17012e+05 5.38640e+05 -4.01627e+06 1.07284e+04 Potential Pressure (bar) -3.31782e+06 -5.50435e+03 Step Time 1504 1504.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01782e+03 6.01773e+03 1.98688e+04 2.52368e+02 -1.06624e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06670e+03 1.17009e+05 5.38754e+05 -4.01648e+06 1.07267e+04 Potential Pressure (bar) -3.31783e+06 -5.50194e+03 Step Time 1505 1505.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95109e+03 6.01288e+03 1.98687e+04 2.52313e+02 -1.06614e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06476e+03 1.17012e+05 5.38777e+05 -4.01654e+06 1.07257e+04 Potential Pressure (bar) -3.31794e+06 -5.50274e+03 Step Time 1506 1506.00000 Step Time 1507 1507.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94901e+03 6.00968e+03 1.98686e+04 2.52342e+02 -1.06624e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06577e+03 1.17010e+05 5.38812e+05 -4.01659e+06 1.07252e+04 Potential Pressure (bar) -3.31797e+06 -5.50128e+03 Step Time 1508 1508.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96663e+03 6.01592e+03 1.98685e+04 2.52315e+02 -1.06620e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06435e+03 1.17012e+05 5.38852e+05 -4.01668e+06 1.07241e+04 Potential Pressure (bar) -3.31799e+06 -5.50193e+03 Step Time 1509 1509.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96717e+03 6.01162e+03 1.98685e+04 2.52352e+02 -1.06633e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06584e+03 1.17009e+05 5.38888e+05 -4.01674e+06 1.07237e+04 Potential Pressure (bar) -3.31802e+06 -5.50007e+03 Step Time 1510 1510.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99712e+03 6.02191e+03 1.98683e+04 2.52311e+02 -1.06625e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06387e+03 1.17013e+05 5.38927e+05 -4.01682e+06 1.07227e+04 Potential Pressure (bar) -3.31803e+06 -5.50129e+03 Step Time 1511 1511.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00664e+03 6.01604e+03 1.98683e+04 2.52368e+02 -1.06642e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06606e+03 1.17008e+05 5.38964e+05 -4.01688e+06 1.07224e+04 Potential Pressure (bar) -3.31805e+06 -5.49885e+03 Step Time 1512 1512.00000 Step Time 1513 1513.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93673e+03 6.00960e+03 1.98682e+04 2.52330e+02 -1.06635e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06459e+03 1.17011e+05 5.38982e+05 -4.01693e+06 1.07215e+04 Potential Pressure (bar) -3.31815e+06 -5.49933e+03 Step Time 1514 1514.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04256e+03 6.02079e+03 1.98679e+04 2.52385e+02 -1.06661e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06578e+03 1.17007e+05 5.39149e+05 -4.01723e+06 1.07188e+04 Potential Pressure (bar) -3.31818e+06 -5.49619e+03 Step Time 1515 1515.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94988e+03 6.01230e+03 1.98678e+04 2.52327e+02 -1.06651e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06374e+03 1.17011e+05 5.39170e+05 -4.01729e+06 1.07178e+04 Potential Pressure (bar) -3.31832e+06 -5.49697e+03 Step Time 1516 1516.00000 Step Time 1517 1517.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95692e+03 6.01039e+03 1.98678e+04 2.52353e+02 -1.06661e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06482e+03 1.17009e+05 5.39210e+05 -4.01736e+06 1.07172e+04 Potential Pressure (bar) -3.31834e+06 -5.49538e+03 Step Time 1518 1518.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96557e+03 6.01544e+03 1.98676e+04 2.52327e+02 -1.06657e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06333e+03 1.17011e+05 5.39245e+05 -4.01744e+06 1.07162e+04 Potential Pressure (bar) -3.31837e+06 -5.49616e+03 Step Time 1519 1519.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98020e+03 6.01298e+03 1.98676e+04 2.52363e+02 -1.06670e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06493e+03 1.17008e+05 5.39284e+05 -4.01751e+06 1.07158e+04 Potential Pressure (bar) -3.31839e+06 -5.49419e+03 Step Time 1520 1520.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99757e+03 6.02179e+03 1.98674e+04 2.52325e+02 -1.06662e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06283e+03 1.17011e+05 5.39320e+05 -4.01759e+06 1.07147e+04 Potential Pressure (bar) -3.31841e+06 -5.49555e+03 Step Time 1521 1521.00000 Step Time 1522 1522.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93622e+03 6.00854e+03 1.98674e+04 2.52344e+02 -1.06670e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06394e+03 1.17009e+05 5.39339e+05 -4.01762e+06 1.07144e+04 Potential Pressure (bar) -3.31849e+06 -5.49381e+03 Step Time 1523 1523.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02996e+03 6.02655e+03 1.98670e+04 2.52322e+02 -1.06679e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06208e+03 1.17011e+05 5.39515e+05 -4.01796e+06 1.07107e+04 Potential Pressure (bar) -3.31855e+06 -5.49314e+03 Step Time 1524 1524.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94403e+03 6.00887e+03 1.98670e+04 2.52354e+02 -1.06691e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06369e+03 1.17008e+05 5.39538e+05 -4.01799e+06 1.07105e+04 Potential Pressure (bar) -3.31867e+06 -5.49073e+03 Step Time 1525 1525.00000 Step Time 1526 1526.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95827e+03 6.01349e+03 1.98669e+04 2.52329e+02 -1.06689e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06254e+03 1.17010e+05 5.39580e+05 -4.01808e+06 1.07094e+04 Potential Pressure (bar) -3.31870e+06 -5.49112e+03 Step Time 1527 1527.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95526e+03 6.00995e+03 1.98668e+04 2.52362e+02 -1.06699e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06371e+03 1.17007e+05 5.39613e+05 -4.01814e+06 1.07091e+04 Potential Pressure (bar) -3.31873e+06 -5.48951e+03 Step Time 1528 1528.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97861e+03 6.01753e+03 1.98667e+04 2.52328e+02 -1.06694e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06212e+03 1.17010e+05 5.39653e+05 -4.01822e+06 1.07079e+04 Potential Pressure (bar) -3.31874e+06 -5.49037e+03 Step Time 1529 1529.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97979e+03 6.01262e+03 1.98667e+04 2.52375e+02 -1.06708e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06384e+03 1.17007e+05 5.39688e+05 -4.01828e+06 1.07076e+04 Potential Pressure (bar) -3.31877e+06 -5.48828e+03 Step Time 1530 1530.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01875e+03 6.02550e+03 1.98665e+04 2.52329e+02 -1.06698e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06159e+03 1.17010e+05 5.39727e+05 -4.01837e+06 1.07064e+04 Potential Pressure (bar) -3.31877e+06 -5.48982e+03 Step Time 1531 1531.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03293e+03 6.01859e+03 1.98666e+04 2.52393e+02 -1.06718e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06412e+03 1.17006e+05 5.39763e+05 -4.01843e+06 1.07064e+04 Potential Pressure (bar) -3.31878e+06 -5.48712e+03 Step Time 1532 1532.00000 Step Time 1533 1533.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93889e+03 6.00967e+03 1.98664e+04 2.52349e+02 -1.06710e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06243e+03 1.17008e+05 5.39782e+05 -4.01848e+06 1.07054e+04 Potential Pressure (bar) -3.31892e+06 -5.48764e+03 Step Time 1534 1534.00000 Step Time 1535 1535.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96361e+03 6.01091e+03 1.98663e+04 2.52371e+02 -1.06723e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06313e+03 1.17006e+05 5.39864e+05 -4.01862e+06 1.07040e+04 Potential Pressure (bar) -3.31896e+06 -5.48577e+03 Step Time 1536 1536.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94570e+03 6.01099e+03 1.98662e+04 2.52340e+02 -1.06719e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06193e+03 1.17008e+05 5.39889e+05 -4.01868e+06 1.07032e+04 Potential Pressure (bar) -3.31901e+06 -5.48633e+03 Step Time 1537 1537.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98308e+03 6.01306e+03 1.98661e+04 2.52375e+02 -1.06733e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06316e+03 1.17006e+05 5.39948e+05 -4.01879e+06 1.07023e+04 Potential Pressure (bar) -3.31902e+06 -5.48446e+03 Step Time 1538 1538.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96132e+03 6.01422e+03 1.98660e+04 2.52339e+02 -1.06726e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06145e+03 1.17009e+05 5.39975e+05 -4.01884e+06 1.07014e+04 Potential Pressure (bar) -3.31907e+06 -5.48537e+03 Step Time 1539 1539.00000 Step Time 1540 1540.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94119e+03 6.00849e+03 1.98660e+04 2.52359e+02 -1.06734e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06234e+03 1.17007e+05 5.40000e+05 -4.01889e+06 1.07011e+04 Potential Pressure (bar) -3.31912e+06 -5.48403e+03 Step Time 1541 1541.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97750e+03 6.01718e+03 1.98658e+04 2.52339e+02 -1.06733e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06102e+03 1.17009e+05 5.40062e+05 -4.01901e+06 1.06995e+04 Potential Pressure (bar) -3.31914e+06 -5.48437e+03 Step Time 1542 1542.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95105e+03 6.00935e+03 1.98658e+04 2.52368e+02 -1.06744e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06233e+03 1.17006e+05 5.40089e+05 -4.01906e+06 1.06993e+04 Potential Pressure (bar) -3.31919e+06 -5.48255e+03 Step Time 1543 1543.00000 Step Time 1544 1544.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94266e+03 6.01010e+03 1.98657e+04 2.52349e+02 -1.06741e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06142e+03 1.17007e+05 5.40115e+05 -4.01911e+06 1.06985e+04 Potential Pressure (bar) -3.31923e+06 -5.48288e+03 Step Time 1545 1545.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96158e+03 6.01046e+03 1.98657e+04 2.52374e+02 -1.06753e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06228e+03 1.17005e+05 5.40171e+05 -4.01922e+06 1.06976e+04 Potential Pressure (bar) -3.31926e+06 -5.48128e+03 Step Time 1546 1546.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95186e+03 6.01202e+03 1.98655e+04 2.52348e+02 -1.06748e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06099e+03 1.17008e+05 5.40199e+05 -4.01928e+06 1.06968e+04 Potential Pressure (bar) -3.31930e+06 -5.48185e+03 Step Time 1547 1547.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98221e+03 6.01274e+03 1.98655e+04 2.52383e+02 -1.06761e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06234e+03 1.17005e+05 5.40248e+05 -4.01936e+06 1.06961e+04 Potential Pressure (bar) -3.31931e+06 -5.48003e+03 Step Time 1548 1548.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97217e+03 6.01613e+03 1.98654e+04 2.52344e+02 -1.06753e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06051e+03 1.17008e+05 5.40278e+05 -4.01943e+06 1.06951e+04 Potential Pressure (bar) -3.31935e+06 -5.48109e+03 Step Time 1549 1549.00000 Step Time 1550 1550.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94017e+03 6.00834e+03 1.98654e+04 2.52368e+02 -1.06762e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06147e+03 1.17006e+05 5.40300e+05 -4.01947e+06 1.06948e+04 Potential Pressure (bar) -3.31941e+06 -5.47962e+03 Step Time 1551 1551.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99278e+03 6.01973e+03 1.98651e+04 2.52337e+02 -1.06761e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06002e+03 1.17008e+05 5.40383e+05 -4.01964e+06 1.06930e+04 Potential Pressure (bar) -3.31943e+06 -5.47987e+03 Step Time 1552 1552.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94942e+03 6.00905e+03 1.98651e+04 2.52368e+02 -1.06773e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06143e+03 1.17005e+05 5.40408e+05 -4.01968e+06 1.06927e+04 Potential Pressure (bar) -3.31950e+06 -5.47792e+03 Step Time 1553 1553.00000 Step Time 1554 1554.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94749e+03 6.01090e+03 1.98650e+04 2.52348e+02 -1.06770e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06044e+03 1.17007e+05 5.40438e+05 -4.01974e+06 1.06919e+04 Potential Pressure (bar) -3.31953e+06 -5.47821e+03 Step Time 1555 1555.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96012e+03 6.01015e+03 1.98650e+04 2.52378e+02 -1.06781e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06141e+03 1.17005e+05 5.40483e+05 -4.01982e+06 1.06913e+04 Potential Pressure (bar) -3.31956e+06 -5.47669e+03 Step Time 1556 1556.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95987e+03 6.01341e+03 1.98649e+04 2.52347e+02 -1.06776e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06002e+03 1.17007e+05 5.40514e+05 -4.01989e+06 1.06902e+04 Potential Pressure (bar) -3.31960e+06 -5.47740e+03 Step Time 1557 1557.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98177e+03 6.01255e+03 1.98649e+04 2.52386e+02 -1.06790e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06149e+03 1.17004e+05 5.40556e+05 -4.01996e+06 1.06899e+04 Potential Pressure (bar) -3.31960e+06 -5.47551e+03 Step Time 1558 1558.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98580e+03 6.01858e+03 1.98647e+04 2.52341e+02 -1.06781e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05954e+03 1.17007e+05 5.40588e+05 -4.02003e+06 1.06888e+04 Potential Pressure (bar) -3.31964e+06 -5.47672e+03 Step Time 1559 1559.00000 Step Time 1560 1560.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93952e+03 6.00823e+03 1.98648e+04 2.52369e+02 -1.06790e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06057e+03 1.17005e+05 5.40608e+05 -4.02006e+06 1.06885e+04 Potential Pressure (bar) -3.31970e+06 -5.47514e+03 Step Time 1561 1561.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01190e+03 6.02299e+03 1.98645e+04 2.52342e+02 -1.06793e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05894e+03 1.17007e+05 5.40727e+05 -4.02030e+06 1.06859e+04 Potential Pressure (bar) -3.31974e+06 -5.47509e+03 Step Time 1562 1562.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94791e+03 6.00875e+03 1.98645e+04 2.52377e+02 -1.06805e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06045e+03 1.17004e+05 5.40750e+05 -4.02034e+06 1.06857e+04 Potential Pressure (bar) -3.31983e+06 -5.47289e+03 Step Time 1563 1563.00000 Step Time 1564 1564.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95402e+03 6.01201e+03 1.98644e+04 2.52353e+02 -1.06802e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05939e+03 1.17006e+05 5.40785e+05 -4.02041e+06 1.06847e+04 Potential Pressure (bar) -3.31986e+06 -5.47325e+03 Step Time 1565 1565.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95872e+03 6.00981e+03 1.98644e+04 2.52382e+02 -1.06814e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06046e+03 1.17004e+05 5.40823e+05 -4.02047e+06 1.06843e+04 Potential Pressure (bar) -3.31988e+06 -5.47169e+03 Step Time 1566 1566.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97024e+03 6.01522e+03 1.98642e+04 2.52347e+02 -1.06807e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05897e+03 1.17006e+05 5.40858e+05 -4.02055e+06 1.06832e+04 Potential Pressure (bar) -3.31991e+06 -5.47247e+03 Step Time 1567 1567.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98149e+03 6.01229e+03 1.98643e+04 2.52392e+02 -1.06822e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.06057e+03 1.17003e+05 5.40895e+05 -4.02061e+06 1.06829e+04 Potential Pressure (bar) -3.31993e+06 -5.47052e+03 Step Time 1568 1568.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00291e+03 6.02173e+03 1.98641e+04 2.52344e+02 -1.06812e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05847e+03 1.17006e+05 5.40930e+05 -4.02069e+06 1.06817e+04 Potential Pressure (bar) -3.31994e+06 -5.47186e+03 Step Time 1569 1569.00000 Step Time 1570 1570.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.93928e+03 6.00821e+03 1.98641e+04 2.52368e+02 -1.06822e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05958e+03 1.17004e+05 5.40949e+05 -4.02072e+06 1.06815e+04 Potential Pressure (bar) -3.32003e+06 -5.47015e+03 Step Time 1571 1571.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03656e+03 6.02675e+03 1.98637e+04 2.52343e+02 -1.06830e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05764e+03 1.17006e+05 5.41146e+05 -4.02111e+06 1.06771e+04 Potential Pressure (bar) -3.32011e+06 -5.46914e+03 Step Time 1572 1572.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94653e+03 6.00843e+03 1.98638e+04 2.52376e+02 -1.06845e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05927e+03 1.17003e+05 5.41168e+05 -4.02114e+06 1.06770e+04 Potential Pressure (bar) -3.32023e+06 -5.46676e+03 Step Time 1573 1573.00000 Step Time 1574 1574.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96297e+03 6.01347e+03 1.98636e+04 2.52350e+02 -1.06841e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05812e+03 1.17005e+05 5.41211e+05 -4.02123e+06 1.06759e+04 Potential Pressure (bar) -3.32025e+06 -5.46706e+03 Step Time 1575 1575.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95740e+03 6.00945e+03 1.98636e+04 2.52381e+02 -1.06852e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05929e+03 1.17002e+05 5.41243e+05 -4.02128e+06 1.06756e+04 Potential Pressure (bar) -3.32028e+06 -5.46550e+03 Step Time 1576 1576.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98380e+03 6.01762e+03 1.98635e+04 2.52348e+02 -1.06846e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05769e+03 1.17005e+05 5.41282e+05 -4.02136e+06 1.06743e+04 Potential Pressure (bar) -3.32029e+06 -5.46635e+03 Step Time 1577 1577.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98139e+03 6.01201e+03 1.98635e+04 2.52395e+02 -1.06862e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05943e+03 1.17002e+05 5.41316e+05 -4.02141e+06 1.06742e+04 Potential Pressure (bar) -3.32032e+06 -5.46428e+03 Step Time 1578 1578.00000 Step Time 1579 1579.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94162e+03 6.00910e+03 1.98635e+04 2.52365e+02 -1.06856e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05824e+03 1.17003e+05 5.41335e+05 -4.02146e+06 1.06734e+04 Potential Pressure (bar) -3.32039e+06 -5.46468e+03 Step Time 1580 1580.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00410e+03 6.01486e+03 1.98633e+04 2.52399e+02 -1.06876e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05925e+03 1.17001e+05 5.41459e+05 -4.02169e+06 1.06713e+04 Potential Pressure (bar) -3.32043e+06 -5.46217e+03 Step Time 1581 1581.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95114e+03 6.01118e+03 1.98632e+04 2.52359e+02 -1.06868e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05758e+03 1.17003e+05 5.41480e+05 -4.02174e+06 1.06703e+04 Potential Pressure (bar) -3.32052e+06 -5.46283e+03 Step Time 1582 1582.00000 Step Time 1583 1583.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95176e+03 6.00883e+03 1.98632e+04 2.52381e+02 -1.06877e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05844e+03 1.17001e+05 5.41516e+05 -4.02180e+06 1.06698e+04 Potential Pressure (bar) -3.32055e+06 -5.46150e+03 Step Time 1584 1584.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96222e+03 6.01340e+03 1.98631e+04 2.52353e+02 -1.06874e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05721e+03 1.17003e+05 5.41552e+05 -4.02188e+06 1.06688e+04 Potential Pressure (bar) -3.32057e+06 -5.46199e+03 Step Time 1585 1585.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96574e+03 6.01028e+03 1.98631e+04 2.52387e+02 -1.06885e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05848e+03 1.17001e+05 5.41587e+05 -4.02194e+06 1.06684e+04 Potential Pressure (bar) -3.32060e+06 -5.46031e+03 Step Time 1586 1586.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98425e+03 6.01777e+03 1.98630e+04 2.52350e+02 -1.06879e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05678e+03 1.17004e+05 5.41623e+05 -4.02201e+06 1.06673e+04 Potential Pressure (bar) -3.32061e+06 -5.46128e+03 Step Time 1587 1587.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99560e+03 6.01359e+03 1.98630e+04 2.52399e+02 -1.06894e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05864e+03 1.17000e+05 5.41659e+05 -4.02207e+06 1.06670e+04 Potential Pressure (bar) -3.32063e+06 -5.45912e+03 Step Time 1588 1588.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02836e+03 6.02660e+03 1.98629e+04 2.52348e+02 -1.06883e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05623e+03 1.17004e+05 5.41694e+05 -4.02215e+06 1.06658e+04 Potential Pressure (bar) -3.32063e+06 -5.46083e+03 Step Time 1589 1589.00000 Step Time 1590 1590.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94074e+03 6.00814e+03 1.98629e+04 2.52374e+02 -1.06893e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05753e+03 1.17002e+05 5.41712e+05 -4.02218e+06 1.06656e+04 Potential Pressure (bar) -3.32075e+06 -5.45878e+03 Step Time 1591 1591.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07442e+03 6.03249e+03 1.98625e+04 2.52336e+02 -1.06903e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05525e+03 1.17004e+05 5.41946e+05 -4.02263e+06 1.06605e+04 Potential Pressure (bar) -3.32081e+06 -5.45767e+03 Step Time 1592 1592.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94954e+03 6.00844e+03 1.98626e+04 2.52373e+02 -1.06919e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05714e+03 1.17000e+05 5.41967e+05 -4.02266e+06 1.06604e+04 Potential Pressure (bar) -3.32098e+06 -5.45483e+03 Step Time 1593 1593.00000 Step Time 1594 1594.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97427e+03 6.01513e+03 1.98624e+04 2.52346e+02 -1.06915e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05585e+03 1.17002e+05 5.42010e+05 -4.02276e+06 1.06591e+04 Potential Pressure (bar) -3.32099e+06 -5.45531e+03 Step Time 1595 1595.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96372e+03 6.00988e+03 1.98625e+04 2.52385e+02 -1.06928e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05722e+03 1.17000e+05 5.42041e+05 -4.02280e+06 1.06589e+04 Potential Pressure (bar) -3.32103e+06 -5.45358e+03 Step Time 1596 1596.00000 Step Time 1597 1597.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94341e+03 6.00907e+03 1.98624e+04 2.52358e+02 -1.06924e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05628e+03 1.17001e+05 5.42061e+05 -4.02285e+06 1.06581e+04 Potential Pressure (bar) -3.32107e+06 -5.45387e+03 Step Time 1598 1598.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97773e+03 6.01145e+03 1.98623e+04 2.52387e+02 -1.06939e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05711e+03 1.16999e+05 5.42151e+05 -4.02301e+06 1.06567e+04 Potential Pressure (bar) -3.32111e+06 -5.45189e+03 Step Time 1599 1599.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95074e+03 6.01072e+03 1.98622e+04 2.52353e+02 -1.06933e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05577e+03 1.17001e+05 5.42174e+05 -4.02306e+06 1.06558e+04 Potential Pressure (bar) -3.32117e+06 -5.45241e+03 Step Time 1600 1600.00000 Step Time 1601 1601.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94689e+03 6.00822e+03 1.98622e+04 2.52372e+02 -1.06940e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05644e+03 1.17000e+05 5.42204e+05 -4.02312e+06 1.06553e+04 Potential Pressure (bar) -3.32120e+06 -5.45132e+03 Step Time 1602 1602.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95889e+03 6.01236e+03 1.98621e+04 2.52349e+02 -1.06938e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05542e+03 1.17001e+05 5.42245e+05 -4.02320e+06 1.06542e+04 Potential Pressure (bar) -3.32123e+06 -5.45153e+03 Step Time 1603 1603.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95492e+03 6.00894e+03 1.98622e+04 2.52373e+02 -1.06948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05643e+03 1.16999e+05 5.42278e+05 -4.02326e+06 1.06539e+04 Potential Pressure (bar) -3.32126e+06 -5.45013e+03 Step Time 1604 1604.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97455e+03 6.01547e+03 1.98620e+04 2.52342e+02 -1.06943e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05504e+03 1.17001e+05 5.42316e+05 -4.02334e+06 1.06528e+04 Potential Pressure (bar) -3.32128e+06 -5.45078e+03 Step Time 1605 1605.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97266e+03 6.01081e+03 1.98621e+04 2.52380e+02 -1.06956e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05652e+03 1.16998e+05 5.42349e+05 -4.02339e+06 1.06525e+04 Potential Pressure (bar) -3.32131e+06 -5.44891e+03 Step Time 1606 1606.00000 Step Time 1607 1607.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94310e+03 6.00885e+03 1.98620e+04 2.52356e+02 -1.06952e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05550e+03 1.17000e+05 5.42367e+05 -4.02343e+06 1.06518e+04 Potential Pressure (bar) -3.32136e+06 -5.44926e+03 Step Time 1608 1608.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98938e+03 6.01281e+03 1.98619e+04 2.52381e+02 -1.06971e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05633e+03 1.16997e+05 5.42491e+05 -4.02366e+06 1.06496e+04 Potential Pressure (bar) -3.32142e+06 -5.44676e+03 Step Time 1609 1609.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95029e+03 6.01047e+03 1.98618e+04 2.52346e+02 -1.06965e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05489e+03 1.17000e+05 5.42512e+05 -4.02371e+06 1.06486e+04 Potential Pressure (bar) -3.32149e+06 -5.44735e+03 Step Time 1610 1610.00000 Step Time 1611 1611.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95063e+03 6.00849e+03 1.98618e+04 2.52365e+02 -1.06973e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05560e+03 1.16998e+05 5.42547e+05 -4.02377e+06 1.06481e+04 Potential Pressure (bar) -3.32152e+06 -5.44613e+03 Step Time 1612 1612.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95861e+03 6.01218e+03 1.98617e+04 2.52342e+02 -1.06969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05454e+03 1.17000e+05 5.42582e+05 -4.02385e+06 1.06472e+04 Potential Pressure (bar) -3.32155e+06 -5.44650e+03 Step Time 1613 1613.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96103e+03 6.00951e+03 1.98617e+04 2.52368e+02 -1.06980e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05562e+03 1.16998e+05 5.42618e+05 -4.02391e+06 1.06468e+04 Potential Pressure (bar) -3.32158e+06 -5.44499e+03 Step Time 1614 1614.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97515e+03 6.01550e+03 1.98616e+04 2.52335e+02 -1.06974e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05413e+03 1.17000e+05 5.42652e+05 -4.02398e+06 1.06457e+04 Potential Pressure (bar) -3.32160e+06 -5.44576e+03 Step Time 1615 1615.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98311e+03 6.01194e+03 1.98617e+04 2.52377e+02 -1.06988e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05573e+03 1.16997e+05 5.42688e+05 -4.02404e+06 1.06454e+04 Potential Pressure (bar) -3.32161e+06 -5.44381e+03 Step Time 1616 1616.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00826e+03 6.02209e+03 1.98615e+04 2.52329e+02 -1.06978e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05364e+03 1.17000e+05 5.42721e+05 -4.02412e+06 1.06442e+04 Potential Pressure (bar) -3.32162e+06 -5.44520e+03 Step Time 1617 1617.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03015e+03 6.01725e+03 1.98616e+04 2.52384e+02 -1.06997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05599e+03 1.16996e+05 5.42758e+05 -4.02417e+06 1.06441e+04 Potential Pressure (bar) -3.32163e+06 -5.44268e+03 Step Time 1618 1618.00000 Step Time 1619 1619.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94369e+03 6.00894e+03 1.98615e+04 2.52344e+02 -1.06990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05443e+03 1.16998e+05 5.42774e+05 -4.02421e+06 1.06432e+04 Potential Pressure (bar) -3.32175e+06 -5.44314e+03 Step Time 1620 1620.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07197e+03 6.02318e+03 1.98613e+04 2.52395e+02 -1.07019e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05562e+03 1.16995e+05 5.42976e+05 -4.02459e+06 1.06395e+04 Potential Pressure (bar) -3.32178e+06 -5.43944e+03 Step Time 1621 1621.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95732e+03 6.01168e+03 1.98612e+04 2.52337e+02 -1.07008e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05344e+03 1.16998e+05 5.42995e+05 -4.02464e+06 1.06384e+04 Potential Pressure (bar) -3.32194e+06 -5.44029e+03 Step Time 1622 1622.00000 Step Time 1623 1623.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97053e+03 6.01061e+03 1.98612e+04 2.52367e+02 -1.07019e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05463e+03 1.16996e+05 5.43035e+05 -4.02470e+06 1.06379e+04 Potential Pressure (bar) -3.32195e+06 -5.43862e+03 Step Time 1624 1624.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97385e+03 6.01514e+03 1.98611e+04 2.52329e+02 -1.07013e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05305e+03 1.16999e+05 5.43065e+05 -4.02477e+06 1.06369e+04 Potential Pressure (bar) -3.32198e+06 -5.43951e+03 Step Time 1625 1625.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99850e+03 6.01378e+03 1.98612e+04 2.52368e+02 -1.07026e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05476e+03 1.16995e+05 5.43105e+05 -4.02483e+06 1.06365e+04 Potential Pressure (bar) -3.32198e+06 -5.43746e+03 Step Time 1626 1626.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00842e+03 6.02212e+03 1.98610e+04 2.52323e+02 -1.07017e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05253e+03 1.16999e+05 5.43136e+05 -4.02491e+06 1.06355e+04 Potential Pressure (bar) -3.32201e+06 -5.43900e+03 Step Time 1627 1627.00000 Step Time 1628 1628.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94452e+03 6.00810e+03 1.98611e+04 2.52344e+02 -1.07026e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05373e+03 1.16996e+05 5.43154e+05 -4.02493e+06 1.06352e+04 Potential Pressure (bar) -3.32210e+06 -5.43713e+03 Step Time 1629 1629.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04296e+03 6.02756e+03 1.98608e+04 2.52309e+02 -1.07029e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05189e+03 1.16999e+05 5.43282e+05 -4.02518e+06 1.06324e+04 Potential Pressure (bar) -3.32210e+06 -5.43728e+03 Step Time 1630 1630.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95478e+03 6.00883e+03 1.98609e+04 2.52346e+02 -1.07042e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05364e+03 1.16995e+05 5.43304e+05 -4.02521e+06 1.06321e+04 Potential Pressure (bar) -3.32222e+06 -5.43471e+03 Step Time 1631 1631.00000 Step Time 1632 1632.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96528e+03 6.01314e+03 1.98608e+04 2.52319e+02 -1.07038e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05243e+03 1.16997e+05 5.43339e+05 -4.02529e+06 1.06311e+04 Potential Pressure (bar) -3.32225e+06 -5.43523e+03 Step Time 1633 1633.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96859e+03 6.01026e+03 1.98608e+04 2.52351e+02 -1.07049e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05368e+03 1.16995e+05 5.43373e+05 -4.02534e+06 1.06307e+04 Potential Pressure (bar) -3.32227e+06 -5.43356e+03 Step Time 1634 1634.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98703e+03 6.01748e+03 1.98607e+04 2.52310e+02 -1.07043e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05199e+03 1.16997e+05 5.43408e+05 -4.02542e+06 1.06296e+04 Potential Pressure (bar) -3.32229e+06 -5.43455e+03 Step Time 1635 1635.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99804e+03 6.01355e+03 1.98608e+04 2.52357e+02 -1.07057e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05384e+03 1.16994e+05 5.43442e+05 -4.02547e+06 1.06294e+04 Potential Pressure (bar) -3.32230e+06 -5.43239e+03 Step Time 1636 1636.00000 Step Time 1637 1637.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94474e+03 6.00885e+03 1.98607e+04 2.52325e+02 -1.07052e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05259e+03 1.16996e+05 5.43459e+05 -4.02551e+06 1.06286e+04 Potential Pressure (bar) -3.32238e+06 -5.43282e+03 Step Time 1638 1638.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02501e+03 6.01724e+03 1.98605e+04 2.52352e+02 -1.07075e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05351e+03 1.16993e+05 5.43644e+05 -4.02586e+06 1.06251e+04 Potential Pressure (bar) -3.32246e+06 -5.42933e+03 Step Time 1639 1639.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95392e+03 6.01081e+03 1.98604e+04 2.52308e+02 -1.07069e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05175e+03 1.16996e+05 5.43663e+05 -4.02590e+06 1.06242e+04 Potential Pressure (bar) -3.32256e+06 -5.43008e+03 Step Time 1640 1640.00000 Step Time 1641 1641.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96113e+03 6.00948e+03 1.98604e+04 2.52332e+02 -1.07078e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05267e+03 1.16994e+05 5.43702e+05 -4.02597e+06 1.06236e+04 Potential Pressure (bar) -3.32259e+06 -5.42860e+03 Step Time 1642 1642.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96497e+03 6.01315e+03 1.98603e+04 2.52305e+02 -1.07074e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05139e+03 1.16996e+05 5.43732e+05 -4.02604e+06 1.06228e+04 Potential Pressure (bar) -3.32262e+06 -5.42929e+03 Step Time 1643 1643.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97867e+03 6.01142e+03 1.98604e+04 2.52335e+02 -1.07085e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05273e+03 1.16993e+05 5.43770e+05 -4.02610e+06 1.06223e+04 Potential Pressure (bar) -3.32263e+06 -5.42748e+03 Step Time 1644 1644.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98787e+03 6.01776e+03 1.98602e+04 2.52294e+02 -1.07079e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05093e+03 1.16996e+05 5.43802e+05 -4.02617e+06 1.06213e+04 Potential Pressure (bar) -3.32266e+06 -5.42866e+03 Step Time 1645 1645.00000 Step Time 1646 1646.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94509e+03 6.00820e+03 1.98603e+04 2.52313e+02 -1.07086e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05189e+03 1.16994e+05 5.43820e+05 -4.02620e+06 1.06210e+04 Potential Pressure (bar) -3.32272e+06 -5.42715e+03 Step Time 1647 1647.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01072e+03 6.02137e+03 1.98601e+04 2.52283e+02 -1.07090e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05033e+03 1.16996e+05 5.43954e+05 -4.02646e+06 1.06180e+04 Potential Pressure (bar) -3.32277e+06 -5.42669e+03 Step Time 1648 1648.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95140e+03 6.00852e+03 1.98601e+04 2.52314e+02 -1.07101e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05172e+03 1.16993e+05 5.43975e+05 -4.02649e+06 1.06178e+04 Potential Pressure (bar) -3.32285e+06 -5.42467e+03 Step Time 1649 1649.00000 Step Time 1650 1650.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95967e+03 6.01188e+03 1.98600e+04 2.52287e+02 -1.07099e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05073e+03 1.16994e+05 5.44010e+05 -4.02656e+06 1.06168e+04 Potential Pressure (bar) -3.32288e+06 -5.42496e+03 Step Time 1651 1651.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96000e+03 6.00936e+03 1.98600e+04 2.52314e+02 -1.07108e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05172e+03 1.16992e+05 5.44043e+05 -4.02662e+06 1.06163e+04 Potential Pressure (bar) -3.32290e+06 -5.42351e+03 Step Time 1652 1652.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97412e+03 6.01479e+03 1.98599e+04 2.52279e+02 -1.07104e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05034e+03 1.16995e+05 5.44078e+05 -4.02669e+06 1.06154e+04 Potential Pressure (bar) -3.32292e+06 -5.42422e+03 Step Time 1653 1653.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97844e+03 6.01135e+03 1.98600e+04 2.52317e+02 -1.07116e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05181e+03 1.16992e+05 5.44111e+05 -4.02675e+06 1.06150e+04 Potential Pressure (bar) -3.32294e+06 -5.42238e+03 Step Time 1654 1654.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00292e+03 6.02049e+03 1.98598e+04 2.52271e+02 -1.07108e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04988e+03 1.16995e+05 5.44146e+05 -4.02682e+06 1.06139e+04 Potential Pressure (bar) -3.32296e+06 -5.42362e+03 Step Time 1655 1655.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01789e+03 6.01582e+03 1.98599e+04 2.52328e+02 -1.07124e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05204e+03 1.16990e+05 5.44180e+05 -4.02687e+06 1.06138e+04 Potential Pressure (bar) -3.32296e+06 -5.42124e+03 Step Time 1656 1656.00000 Step Time 1657 1657.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94651e+03 6.00914e+03 1.98598e+04 2.52288e+02 -1.07118e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05060e+03 1.16993e+05 5.44196e+05 -4.02691e+06 1.06129e+04 Potential Pressure (bar) -3.32307e+06 -5.42171e+03 Step Time 1658 1658.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05389e+03 6.02085e+03 1.98597e+04 2.52326e+02 -1.07142e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05173e+03 1.16989e+05 5.44374e+05 -4.02725e+06 1.06096e+04 Potential Pressure (bar) -3.32311e+06 -5.41831e+03 Step Time 1659 1659.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95856e+03 6.01168e+03 1.98595e+04 2.52270e+02 -1.07134e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04971e+03 1.16993e+05 5.44392e+05 -4.02729e+06 1.06086e+04 Potential Pressure (bar) -3.32324e+06 -5.41915e+03 Step Time 1660 1660.00000 Step Time 1661 1661.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96832e+03 6.01035e+03 1.98596e+04 2.52294e+02 -1.07143e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05080e+03 1.16991e+05 5.44430e+05 -4.02736e+06 1.06080e+04 Potential Pressure (bar) -3.32326e+06 -5.41757e+03 Step Time 1662 1662.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97314e+03 6.01470e+03 1.98595e+04 2.52260e+02 -1.07139e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04933e+03 1.16993e+05 5.44460e+05 -4.02742e+06 1.06071e+04 Potential Pressure (bar) -3.32328e+06 -5.41841e+03 Step Time 1663 1663.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99183e+03 6.01299e+03 1.98595e+04 2.52301e+02 -1.07151e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.05091e+03 1.16990e+05 5.44498e+05 -4.02748e+06 1.06067e+04 Potential Pressure (bar) -3.32329e+06 -5.41645e+03 Step Time 1664 1664.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00335e+03 6.02080e+03 1.98594e+04 2.52254e+02 -1.07144e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04884e+03 1.16994e+05 5.44528e+05 -4.02756e+06 1.06057e+04 Potential Pressure (bar) -3.32331e+06 -5.41786e+03 Step Time 1665 1665.00000 Step Time 1666 1666.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94681e+03 6.00839e+03 1.98594e+04 2.52276e+02 -1.07151e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04995e+03 1.16991e+05 5.44546e+05 -4.02758e+06 1.06054e+04 Potential Pressure (bar) -3.32339e+06 -5.41612e+03 Step Time 1667 1667.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03355e+03 6.02550e+03 1.98591e+04 2.52240e+02 -1.07156e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04820e+03 1.16993e+05 5.44679e+05 -4.02784e+06 1.06024e+04 Potential Pressure (bar) -3.32342e+06 -5.41604e+03 Step Time 1668 1668.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95522e+03 6.00894e+03 1.98592e+04 2.52276e+02 -1.07167e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04981e+03 1.16990e+05 5.44700e+05 -4.02787e+06 1.06022e+04 Potential Pressure (bar) -3.32352e+06 -5.41367e+03 Step Time 1669 1669.00000 Step Time 1670 1670.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96584e+03 6.01301e+03 1.98591e+04 2.52245e+02 -1.07164e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04869e+03 1.16992e+05 5.44735e+05 -4.02794e+06 1.06012e+04 Potential Pressure (bar) -3.32355e+06 -5.41408e+03 Step Time 1671 1671.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96674e+03 6.01011e+03 1.98591e+04 2.52276e+02 -1.07173e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04985e+03 1.16989e+05 5.44767e+05 -4.02799e+06 1.06008e+04 Potential Pressure (bar) -3.32357e+06 -5.41247e+03 Step Time 1672 1672.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98488e+03 6.01683e+03 1.98590e+04 2.52236e+02 -1.07168e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04827e+03 1.16992e+05 5.44801e+05 -4.02807e+06 1.05998e+04 Potential Pressure (bar) -3.32359e+06 -5.41342e+03 Step Time 1673 1673.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99150e+03 6.01286e+03 1.98591e+04 2.52285e+02 -1.07182e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04999e+03 1.16989e+05 5.44834e+05 -4.02812e+06 1.05995e+04 Potential Pressure (bar) -3.32361e+06 -5.41134e+03 Step Time 1674 1674.00000 Step Time 1675 1675.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94753e+03 6.00917e+03 1.98590e+04 2.52253e+02 -1.07177e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04883e+03 1.16990e+05 5.44850e+05 -4.02816e+06 1.05988e+04 Potential Pressure (bar) -3.32368e+06 -5.41180e+03 Step Time 1676 1676.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01456e+03 6.01598e+03 1.98589e+04 2.52273e+02 -1.07199e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04969e+03 1.16987e+05 5.45012e+05 -4.02845e+06 1.05956e+04 Potential Pressure (bar) -3.32374e+06 -5.40866e+03 Step Time 1677 1677.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95576e+03 6.01099e+03 1.98588e+04 2.52230e+02 -1.07192e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04807e+03 1.16990e+05 5.45031e+05 -4.02850e+06 1.05949e+04 Potential Pressure (bar) -3.32383e+06 -5.40937e+03 Step Time 1678 1678.00000 Step Time 1679 1679.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96067e+03 6.00957e+03 1.98587e+04 2.52248e+02 -1.07200e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04892e+03 1.16988e+05 5.45068e+05 -4.02856e+06 1.05943e+04 Potential Pressure (bar) -3.32386e+06 -5.40800e+03 Step Time 1680 1680.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96557e+03 6.01304e+03 1.98586e+04 2.52221e+02 -1.07197e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04772e+03 1.16990e+05 5.45098e+05 -4.02863e+06 1.05934e+04 Potential Pressure (bar) -3.32388e+06 -5.40858e+03 Step Time 1681 1681.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97540e+03 6.01119e+03 1.98587e+04 2.52250e+02 -1.07207e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04897e+03 1.16988e+05 5.45134e+05 -4.02869e+06 1.05928e+04 Potential Pressure (bar) -3.32390e+06 -5.40686e+03 Step Time 1682 1682.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98568e+03 6.01708e+03 1.98586e+04 2.52212e+02 -1.07201e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04729e+03 1.16991e+05 5.45164e+05 -4.02876e+06 1.05919e+04 Potential Pressure (bar) -3.32392e+06 -5.40794e+03 Step Time 1683 1683.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00610e+03 6.01466e+03 1.98586e+04 2.52259e+02 -1.07215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04914e+03 1.16987e+05 5.45200e+05 -4.02881e+06 1.05916e+04 Potential Pressure (bar) -3.32393e+06 -5.40573e+03 Step Time 1684 1684.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02672e+03 6.02535e+03 1.98585e+04 2.52208e+02 -1.07205e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04676e+03 1.16991e+05 5.45230e+05 -4.02888e+06 1.05905e+04 Potential Pressure (bar) -3.32393e+06 -5.40752e+03 Step Time 1685 1685.00000 Step Time 1686 1686.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94820e+03 6.00864e+03 1.98585e+04 2.52235e+02 -1.07215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04804e+03 1.16988e+05 5.45248e+05 -4.02891e+06 1.05902e+04 Potential Pressure (bar) -3.32404e+06 -5.40549e+03 Step Time 1687 1687.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06832e+03 6.03158e+03 1.98582e+04 2.52186e+02 -1.07219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04602e+03 1.16991e+05 5.45400e+05 -4.02921e+06 1.05868e+04 Potential Pressure (bar) -3.32405e+06 -5.40551e+03 Step Time 1688 1688.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95851e+03 6.00935e+03 1.98583e+04 2.52227e+02 -1.07233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04789e+03 1.16987e+05 5.45420e+05 -4.02924e+06 1.05866e+04 Potential Pressure (bar) -3.32419e+06 -5.40270e+03 Step Time 1689 1689.00000 Step Time 1690 1690.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97574e+03 6.01485e+03 1.98582e+04 2.52199e+02 -1.07229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04661e+03 1.16989e+05 5.45456e+05 -4.02931e+06 1.05855e+04 Potential Pressure (bar) -3.32420e+06 -5.40330e+03 Step Time 1691 1691.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97343e+03 6.01090e+03 1.98582e+04 2.52235e+02 -1.07240e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04797e+03 1.16986e+05 5.45487e+05 -4.02936e+06 1.05852e+04 Potential Pressure (bar) -3.32423e+06 -5.40153e+03 Step Time 1692 1692.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00170e+03 6.02004e+03 1.98581e+04 2.52190e+02 -1.07233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04617e+03 1.16989e+05 5.45521e+05 -4.02944e+06 1.05841e+04 Potential Pressure (bar) -3.32424e+06 -5.40272e+03 Step Time 1693 1693.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00589e+03 6.01453e+03 1.98582e+04 2.52245e+02 -1.07248e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04817e+03 1.16985e+05 5.45554e+05 -4.02949e+06 1.05839e+04 Potential Pressure (bar) -3.32426e+06 -5.40043e+03 Step Time 1694 1694.00000 Step Time 1695 1695.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94977e+03 6.00969e+03 1.98581e+04 2.52206e+02 -1.07242e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04683e+03 1.16988e+05 5.45570e+05 -4.02952e+06 1.05831e+04 Potential Pressure (bar) -3.32434e+06 -5.40093e+03 Step Time 1696 1696.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03634e+03 6.01864e+03 1.98580e+04 2.52243e+02 -1.07264e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04798e+03 1.16984e+05 5.45704e+05 -4.02976e+06 1.05808e+04 Potential Pressure (bar) -3.32436e+06 -5.39814e+03 Step Time 1697 1697.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96117e+03 6.01217e+03 1.98579e+04 2.52186e+02 -1.07255e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04609e+03 1.16988e+05 5.45722e+05 -4.02981e+06 1.05798e+04 Potential Pressure (bar) -3.32446e+06 -5.39899e+03 Step Time 1698 1698.00000 Step Time 1699 1699.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96555e+03 6.01019e+03 1.98579e+04 2.52211e+02 -1.07265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04710e+03 1.16986e+05 5.45756e+05 -4.02987e+06 1.05793e+04 Potential Pressure (bar) -3.32449e+06 -5.39751e+03 Step Time 1700 1700.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97470e+03 6.01492e+03 1.98578e+04 2.52177e+02 -1.07260e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04573e+03 1.16988e+05 5.45787e+05 -4.02994e+06 1.05783e+04 Potential Pressure (bar) -3.32451e+06 -5.39827e+03 Step Time 1701 1701.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98473e+03 6.01232e+03 1.98578e+04 2.52214e+02 -1.07272e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04719e+03 1.16985e+05 5.45822e+05 -4.02999e+06 1.05779e+04 Potential Pressure (bar) -3.32453e+06 -5.39641e+03 Step Time 1702 1702.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00209e+03 6.02040e+03 1.98577e+04 2.52167e+02 -1.07265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04526e+03 1.16988e+05 5.45853e+05 -4.03007e+06 1.05769e+04 Potential Pressure (bar) -3.32455e+06 -5.39772e+03 Step Time 1703 1703.00000 Step Time 1704 1704.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.94887e+03 6.00888e+03 1.98577e+04 2.52189e+02 -1.07273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04629e+03 1.16986e+05 5.45869e+05 -4.03009e+06 1.05766e+04 Potential Pressure (bar) -3.32462e+06 -5.39613e+03 Step Time 1705 1705.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02980e+03 6.02440e+03 1.98574e+04 2.52154e+02 -1.07282e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04454e+03 1.16988e+05 5.46038e+05 -4.03042e+06 1.05728e+04 Potential Pressure (bar) -3.32468e+06 -5.39530e+03 Step Time 1706 1706.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95509e+03 6.00915e+03 1.98575e+04 2.52184e+02 -1.07293e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04604e+03 1.16985e+05 5.46056e+05 -4.03045e+06 1.05726e+04 Potential Pressure (bar) -3.32479e+06 -5.39311e+03 Step Time 1707 1707.00000 Step Time 1708 1708.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96845e+03 6.01341e+03 1.98574e+04 2.52153e+02 -1.07291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04498e+03 1.16986e+05 5.46094e+05 -4.03052e+06 1.05716e+04 Potential Pressure (bar) -3.32481e+06 -5.39345e+03 Step Time 1709 1709.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96428e+03 6.01005e+03 1.98574e+04 2.52186e+02 -1.07301e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04606e+03 1.16984e+05 5.46124e+05 -4.03057e+06 1.05712e+04 Potential Pressure (bar) -3.32483e+06 -5.39201e+03 Step Time 1710 1710.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98587e+03 6.01691e+03 1.98573e+04 2.52145e+02 -1.07296e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04459e+03 1.16987e+05 5.46159e+05 -4.03064e+06 1.05702e+04 Potential Pressure (bar) -3.32485e+06 -5.39278e+03 Step Time 1711 1711.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98450e+03 6.01225e+03 1.98573e+04 2.52191e+02 -1.07309e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04619e+03 1.16983e+05 5.46190e+05 -4.03069e+06 1.05699e+04 Potential Pressure (bar) -3.32487e+06 -5.39087e+03 Step Time 1712 1712.00000 Step Time 1713 1713.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95076e+03 6.00979e+03 1.98573e+04 2.52159e+02 -1.07305e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04510e+03 1.16985e+05 5.46206e+05 -4.03073e+06 1.05692e+04 Potential Pressure (bar) -3.32493e+06 -5.39127e+03 Step Time 1714 1714.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00373e+03 6.01469e+03 1.98572e+04 2.52198e+02 -1.07323e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04601e+03 1.16983e+05 5.46322e+05 -4.03094e+06 1.05671e+04 Potential Pressure (bar) -3.32497e+06 -5.38880e+03 Step Time 1715 1715.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95868e+03 6.01160e+03 1.98571e+04 2.52148e+02 -1.07318e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04449e+03 1.16985e+05 5.46342e+05 -4.03099e+06 1.05662e+04 Potential Pressure (bar) -3.32505e+06 -5.38950e+03 Step Time 1716 1716.00000 Step Time 1717 1717.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95959e+03 6.00966e+03 1.98571e+04 2.52170e+02 -1.07326e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04528e+03 1.16983e+05 5.46374e+05 -4.03105e+06 1.05657e+04 Potential Pressure (bar) -3.32507e+06 -5.38823e+03 Step Time 1718 1718.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96791e+03 6.01350e+03 1.98570e+04 2.52142e+02 -1.07323e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04415e+03 1.16985e+05 5.46405e+05 -4.03111e+06 1.05648e+04 Potential Pressure (bar) -3.32509e+06 -5.38873e+03 Step Time 1719 1719.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97148e+03 6.01092e+03 1.98570e+04 2.52172e+02 -1.07334e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04531e+03 1.16983e+05 5.46438e+05 -4.03116e+06 1.05643e+04 Potential Pressure (bar) -3.32512e+06 -5.38714e+03 Step Time 1720 1720.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98635e+03 6.01719e+03 1.98569e+04 2.52131e+02 -1.07329e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04373e+03 1.16985e+05 5.46469e+05 -4.03123e+06 1.05633e+04 Potential Pressure (bar) -3.32513e+06 -5.38809e+03 Step Time 1721 1721.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99673e+03 6.01376e+03 1.98570e+04 2.52178e+02 -1.07343e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04546e+03 1.16982e+05 5.46502e+05 -4.03128e+06 1.05631e+04 Potential Pressure (bar) -3.32514e+06 -5.38606e+03 Step Time 1722 1722.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02337e+03 6.02460e+03 1.98568e+04 2.52122e+02 -1.07334e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04324e+03 1.16986e+05 5.46534e+05 -4.03136e+06 1.05619e+04 Potential Pressure (bar) -3.32515e+06 -5.38766e+03 Step Time 1723 1723.00000 Step Time 1724 1724.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95021e+03 6.00916e+03 1.98569e+04 2.52148e+02 -1.07343e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04443e+03 1.16983e+05 5.46549e+05 -4.03138e+06 1.05617e+04 Potential Pressure (bar) -3.32525e+06 -5.38583e+03 Step Time 1725 1725.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06145e+03 6.02990e+03 1.98566e+04 2.52116e+02 -1.07356e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04241e+03 1.16986e+05 5.46744e+05 -4.03176e+06 1.05572e+04 Potential Pressure (bar) -3.32530e+06 -5.38496e+03 Step Time 1726 1726.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95787e+03 6.00954e+03 1.98567e+04 2.52154e+02 -1.07369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04414e+03 1.16982e+05 5.46763e+05 -4.03178e+06 1.05571e+04 Potential Pressure (bar) -3.32543e+06 -5.38243e+03 Step Time 1727 1727.00000 Step Time 1728 1728.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97780e+03 6.01516e+03 1.98566e+04 2.52115e+02 -1.07367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04294e+03 1.16984e+05 5.46800e+05 -4.03186e+06 1.05560e+04 Potential Pressure (bar) -3.32545e+06 -5.38284e+03 Step Time 1729 1729.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96992e+03 6.01075e+03 1.98566e+04 2.52154e+02 -1.07379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04421e+03 1.16981e+05 5.46829e+05 -4.03191e+06 1.05557e+04 Potential Pressure (bar) -3.32548e+06 -5.38127e+03 Step Time 1730 1730.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00134e+03 6.01990e+03 1.98565e+04 2.52108e+02 -1.07373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04252e+03 1.16984e+05 5.46865e+05 -4.03199e+06 1.05545e+04 Potential Pressure (bar) -3.32548e+06 -5.38225e+03 Step Time 1731 1731.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99667e+03 6.01370e+03 1.98566e+04 2.52161e+02 -1.07388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04439e+03 1.16980e+05 5.46894e+05 -4.03203e+06 1.05545e+04 Potential Pressure (bar) -3.32551e+06 -5.38014e+03 Step Time 1732 1732.00000 Step Time 1733 1733.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95303e+03 6.01035e+03 1.98565e+04 2.52125e+02 -1.07383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04314e+03 1.16982e+05 5.46910e+05 -4.03207e+06 1.05537e+04 Potential Pressure (bar) -3.32558e+06 -5.38057e+03 Step Time 1734 1734.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02221e+03 6.01696e+03 1.98564e+04 2.52168e+02 -1.07405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04427e+03 1.16980e+05 5.47013e+05 -4.03225e+06 1.05519e+04 Potential Pressure (bar) -3.32559e+06 -5.37830e+03 Step Time 1735 1735.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96389e+03 6.01273e+03 1.98563e+04 2.52117e+02 -1.07397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04252e+03 1.16983e+05 5.47032e+05 -4.03230e+06 1.05508e+04 Potential Pressure (bar) -3.32568e+06 -5.37906e+03 Step Time 1736 1736.00000 Step Time 1737 1737.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96376e+03 6.01019e+03 1.98563e+04 2.52143e+02 -1.07407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04345e+03 1.16981e+05 5.47063e+05 -4.03235e+06 1.05504e+04 Potential Pressure (bar) -3.32570e+06 -5.37774e+03 Step Time 1738 1738.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97648e+03 6.01525e+03 1.98563e+04 2.52113e+02 -1.07404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04216e+03 1.16983e+05 5.47095e+05 -4.03242e+06 1.05495e+04 Potential Pressure (bar) -3.32572e+06 -5.37837e+03 Step Time 1739 1739.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97934e+03 6.01188e+03 1.98563e+04 2.52148e+02 -1.07417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04353e+03 1.16980e+05 5.47126e+05 -4.03247e+06 1.05491e+04 Potential Pressure (bar) -3.32575e+06 -5.37667e+03 Step Time 1740 1740.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00144e+03 6.02023e+03 1.98562e+04 2.52106e+02 -1.07411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04173e+03 1.16983e+05 5.47157e+05 -4.03254e+06 1.05481e+04 Potential Pressure (bar) -3.32576e+06 -5.37784e+03 Step Time 1741 1741.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01284e+03 6.01566e+03 1.98563e+04 2.52157e+02 -1.07427e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04374e+03 1.16979e+05 5.47189e+05 -4.03259e+06 1.05479e+04 Potential Pressure (bar) -3.32577e+06 -5.37557e+03 Step Time 1742 1742.00000 Step Time 1743 1743.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95239e+03 6.01015e+03 1.98562e+04 2.52121e+02 -1.07422e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04241e+03 1.16981e+05 5.47204e+05 -4.03262e+06 1.05471e+04 Potential Pressure (bar) -3.32585e+06 -5.37607e+03 Step Time 1744 1744.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04326e+03 6.01978e+03 1.98561e+04 2.52161e+02 -1.07454e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04346e+03 1.16978e+05 5.47363e+05 -4.03292e+06 1.05440e+04 Potential Pressure (bar) -3.32589e+06 -5.37294e+03 Step Time 1745 1745.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96289e+03 6.01239e+03 1.98560e+04 2.52115e+02 -1.07446e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04160e+03 1.16981e+05 5.47380e+05 -4.03296e+06 1.05431e+04 Potential Pressure (bar) -3.32601e+06 -5.37377e+03 Step Time 1746 1746.00000 Step Time 1747 1747.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97062e+03 6.01099e+03 1.98560e+04 2.52143e+02 -1.07458e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04260e+03 1.16979e+05 5.47415e+05 -4.03302e+06 1.05426e+04 Potential Pressure (bar) -3.32602e+06 -5.37230e+03 Step Time 1748 1748.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97555e+03 6.01502e+03 1.98560e+04 2.52112e+02 -1.07455e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04124e+03 1.16982e+05 5.47444e+05 -4.03308e+06 1.05417e+04 Potential Pressure (bar) -3.32605e+06 -5.37309e+03 Step Time 1749 1749.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99055e+03 6.01322e+03 1.98560e+04 2.52152e+02 -1.07468e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04271e+03 1.16978e+05 5.47477e+05 -4.03314e+06 1.05413e+04 Potential Pressure (bar) -3.32606e+06 -5.37124e+03 Step Time 1750 1750.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00168e+03 6.02028e+03 1.98559e+04 2.52110e+02 -1.07463e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04080e+03 1.16982e+05 5.47506e+05 -4.03321e+06 1.05403e+04 Potential Pressure (bar) -3.32608e+06 -5.37256e+03 Step Time 1751 1751.00000 Step Time 1752 1752.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95249e+03 6.00944e+03 1.98559e+04 2.52134e+02 -1.07471e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04182e+03 1.16980e+05 5.47522e+05 -4.03323e+06 1.05400e+04 Potential Pressure (bar) -3.32615e+06 -5.37098e+03 Step Time 1753 1753.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02772e+03 6.02447e+03 1.98557e+04 2.52111e+02 -1.07485e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04019e+03 1.16982e+05 5.47648e+05 -4.03347e+06 1.05370e+04 Potential Pressure (bar) -3.32618e+06 -5.37078e+03 Step Time 1754 1754.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95954e+03 6.00983e+03 1.98558e+04 2.52142e+02 -1.07497e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04169e+03 1.16979e+05 5.47668e+05 -4.03350e+06 1.05368e+04 Potential Pressure (bar) -3.32628e+06 -5.36859e+03 Step Time 1755 1755.00000 Step Time 1756 1756.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96925e+03 6.01362e+03 1.98557e+04 2.52121e+02 -1.07497e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04066e+03 1.16980e+05 5.47700e+05 -4.03357e+06 1.05359e+04 Potential Pressure (bar) -3.32630e+06 -5.36901e+03 Step Time 1757 1757.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96929e+03 6.01081e+03 1.98558e+04 2.52150e+02 -1.07508e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04172e+03 1.16978e+05 5.47729e+05 -4.03361e+06 1.05355e+04 Potential Pressure (bar) -3.32632e+06 -5.36756e+03 Step Time 1758 1758.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98571e+03 6.01694e+03 1.98557e+04 2.52119e+02 -1.07505e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04028e+03 1.16980e+05 5.47761e+05 -4.03369e+06 1.05345e+04 Potential Pressure (bar) -3.32633e+06 -5.36839e+03 Step Time 1759 1759.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99032e+03 6.01311e+03 1.98557e+04 2.52161e+02 -1.07520e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04185e+03 1.16977e+05 5.47792e+05 -4.03374e+06 1.05342e+04 Potential Pressure (bar) -3.32636e+06 -5.36648e+03 Step Time 1760 1760.00000 Step Time 1761 1761.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95328e+03 6.01022e+03 1.98557e+04 2.52136e+02 -1.07517e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04079e+03 1.16979e+05 5.47807e+05 -4.03377e+06 1.05334e+04 Potential Pressure (bar) -3.32641e+06 -5.36691e+03 Step Time 1762 1762.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01003e+03 6.01568e+03 1.98556e+04 2.52175e+02 -1.07548e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04161e+03 1.16976e+05 5.47951e+05 -4.03404e+06 1.05306e+04 Potential Pressure (bar) -3.32648e+06 -5.36404e+03 Step Time 1763 1763.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96043e+03 6.01185e+03 1.98555e+04 2.52133e+02 -1.07543e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04010e+03 1.16979e+05 5.47969e+05 -4.03408e+06 1.05299e+04 Potential Pressure (bar) -3.32656e+06 -5.36471e+03 Step Time 1764 1764.00000 Step Time 1765 1765.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96419e+03 6.01037e+03 1.98556e+04 2.52156e+02 -1.07554e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04088e+03 1.16977e+05 5.48002e+05 -4.03414e+06 1.05293e+04 Potential Pressure (bar) -3.32658e+06 -5.36346e+03 Step Time 1766 1766.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96894e+03 6.01367e+03 1.98555e+04 2.52135e+02 -1.07553e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03978e+03 1.16979e+05 5.48030e+05 -4.03420e+06 1.05284e+04 Potential Pressure (bar) -3.32661e+06 -5.36398e+03 Step Time 1767 1767.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97669e+03 6.01172e+03 1.98555e+04 2.52164e+02 -1.07566e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04093e+03 1.16977e+05 5.48063e+05 -4.03425e+06 1.05280e+04 Potential Pressure (bar) -3.32662e+06 -5.36244e+03 Step Time 1768 1768.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98632e+03 6.01718e+03 1.98554e+04 2.52129e+02 -1.07562e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03937e+03 1.16979e+05 5.48091e+05 -4.03432e+06 1.05270e+04 Potential Pressure (bar) -3.32664e+06 -5.36341e+03 Step Time 1769 1769.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00274e+03 6.01467e+03 1.98555e+04 2.52174e+02 -1.07578e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04109e+03 1.16976e+05 5.48124e+05 -4.03437e+06 1.05267e+04 Potential Pressure (bar) -3.32665e+06 -5.36137e+03 Step Time 1770 1770.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02174e+03 6.02431e+03 1.98554e+04 2.52127e+02 -1.07570e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03888e+03 1.16980e+05 5.48153e+05 -4.03444e+06 1.05256e+04 Potential Pressure (bar) -3.32666e+06 -5.36299e+03 Step Time 1771 1771.00000 Step Time 1772 1772.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95370e+03 6.00971e+03 1.98554e+04 2.52153e+02 -1.07580e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04007e+03 1.16977e+05 5.48168e+05 -4.03445e+06 1.05254e+04 Potential Pressure (bar) -3.32675e+06 -5.36119e+03 Step Time 1773 1773.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05750e+03 6.02976e+03 1.98552e+04 2.52120e+02 -1.07596e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03819e+03 1.16980e+05 5.48312e+05 -4.03474e+06 1.05219e+04 Potential Pressure (bar) -3.32677e+06 -5.36110e+03 Step Time 1774 1774.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96240e+03 6.01026e+03 1.98553e+04 2.52156e+02 -1.07610e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03992e+03 1.16976e+05 5.48330e+05 -4.03476e+06 1.05218e+04 Potential Pressure (bar) -3.32689e+06 -5.35855e+03 Step Time 1775 1775.00000 Step Time 1776 1776.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97772e+03 6.01526e+03 1.98553e+04 2.52128e+02 -1.07609e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03874e+03 1.16978e+05 5.48363e+05 -4.03483e+06 1.05207e+04 Potential Pressure (bar) -3.32691e+06 -5.35911e+03 Step Time 1777 1777.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97503e+03 6.01154e+03 1.98553e+04 2.52163e+02 -1.07621e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03999e+03 1.16975e+05 5.48391e+05 -4.03488e+06 1.05205e+04 Potential Pressure (bar) -3.32693e+06 -5.35748e+03 Step Time 1778 1778.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00010e+03 6.01976e+03 1.98552e+04 2.52123e+02 -1.07617e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03832e+03 1.16978e+05 5.48423e+05 -4.03495e+06 1.05194e+04 Potential Pressure (bar) -3.32694e+06 -5.35855e+03 Step Time 1779 1779.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00260e+03 6.01460e+03 1.98553e+04 2.52178e+02 -1.07633e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04017e+03 1.16975e+05 5.48453e+05 -4.03499e+06 1.05192e+04 Potential Pressure (bar) -3.32695e+06 -5.35640e+03 Step Time 1780 1780.00000 Step Time 1781 1781.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95523e+03 6.01073e+03 1.98552e+04 2.52140e+02 -1.07629e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03894e+03 1.16977e+05 5.48468e+05 -4.03503e+06 1.05185e+04 Potential Pressure (bar) -3.32703e+06 -5.35689e+03 Step Time 1782 1782.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02852e+03 6.01806e+03 1.98552e+04 2.52175e+02 -1.07657e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.04002e+03 1.16974e+05 5.48589e+05 -4.03525e+06 1.05161e+04 Potential Pressure (bar) -3.32705e+06 -5.35433e+03 Step Time 1783 1783.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96508e+03 6.01292e+03 1.98551e+04 2.52127e+02 -1.07650e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03826e+03 1.16977e+05 5.48606e+05 -4.03530e+06 1.05152e+04 Potential Pressure (bar) -3.32715e+06 -5.35512e+03 Step Time 1784 1784.00000 Step Time 1785 1785.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96839e+03 6.01096e+03 1.98551e+04 2.52155e+02 -1.07661e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03918e+03 1.16975e+05 5.48637e+05 -4.03535e+06 1.05148e+04 Potential Pressure (bar) -3.32717e+06 -5.35379e+03 Step Time 1786 1786.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97676e+03 6.01532e+03 1.98551e+04 2.52120e+02 -1.07658e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03792e+03 1.16977e+05 5.48666e+05 -4.03541e+06 1.05139e+04 Potential Pressure (bar) -3.32720e+06 -5.35452e+03 Step Time 1787 1787.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98468e+03 6.01275e+03 1.98551e+04 2.52155e+02 -1.07672e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03927e+03 1.16974e+05 5.48697e+05 -4.03546e+06 1.05135e+04 Potential Pressure (bar) -3.32721e+06 -5.35277e+03 Step Time 1788 1788.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00037e+03 6.02006e+03 1.98550e+04 2.52110e+02 -1.07666e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03748e+03 1.16977e+05 5.48726e+05 -4.03553e+06 1.05125e+04 Potential Pressure (bar) -3.32722e+06 -5.35395e+03 Step Time 1789 1789.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01904e+03 6.01666e+03 1.98551e+04 2.52163e+02 -1.07683e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03948e+03 1.16973e+05 5.48757e+05 -4.03557e+06 1.05123e+04 Potential Pressure (bar) -3.32722e+06 -5.35175e+03 Step Time 1790 1790.00000 Step Time 1791 1791.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95485e+03 6.01060e+03 1.98550e+04 2.52126e+02 -1.07678e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03815e+03 1.16975e+05 5.48771e+05 -4.03561e+06 1.05115e+04 Potential Pressure (bar) -3.32732e+06 -5.35228e+03 Step Time 1792 1792.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04953e+03 6.02096e+03 1.98550e+04 2.52155e+02 -1.07719e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03904e+03 1.16972e+05 5.48976e+05 -4.03599e+06 1.05073e+04 Potential Pressure (bar) -3.32740e+06 -5.34842e+03 Step Time 1793 1793.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96446e+03 6.01264e+03 1.98549e+04 2.52103e+02 -1.07711e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03719e+03 1.16975e+05 5.48992e+05 -4.03604e+06 1.05064e+04 Potential Pressure (bar) -3.32752e+06 -5.34929e+03 Step Time 1794 1794.00000 Step Time 1795 1795.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97543e+03 6.01188e+03 1.98549e+04 2.52124e+02 -1.07721e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03819e+03 1.16973e+05 5.49028e+05 -4.03610e+06 1.05057e+04 Potential Pressure (bar) -3.32753e+06 -5.34782e+03 Step Time 1796 1796.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97612e+03 6.01520e+03 1.98548e+04 2.52091e+02 -1.07718e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03683e+03 1.16975e+05 5.49053e+05 -4.03616e+06 1.05050e+04 Potential Pressure (bar) -3.32756e+06 -5.34863e+03 Step Time 1797 1797.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99606e+03 6.01421e+03 1.98549e+04 2.52126e+02 -1.07731e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03829e+03 1.16972e+05 5.49087e+05 -4.03621e+06 1.05045e+04 Potential Pressure (bar) -3.32757e+06 -5.34677e+03 Step Time 1798 1798.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00084e+03 6.02024e+03 1.98548e+04 2.52083e+02 -1.07725e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03638e+03 1.16976e+05 5.49113e+05 -4.03627e+06 1.05036e+04 Potential Pressure (bar) -3.32759e+06 -5.34815e+03 Step Time 1799 1799.00000 Step Time 1800 1800.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95599e+03 6.01013e+03 1.98548e+04 2.52104e+02 -1.07733e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03740e+03 1.16973e+05 5.49129e+05 -4.03629e+06 1.05033e+04 Potential Pressure (bar) -3.32766e+06 -5.34659e+03 Step Time 1801 1801.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02540e+03 6.02439e+03 1.98547e+04 2.52067e+02 -1.07741e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03583e+03 1.16976e+05 5.49227e+05 -4.03649e+06 1.05009e+04 Potential Pressure (bar) -3.32767e+06 -5.34683e+03 Step Time 1802 1802.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96391e+03 6.01071e+03 1.98548e+04 2.52094e+02 -1.07751e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03733e+03 1.16972e+05 5.49245e+05 -4.03651e+06 1.05007e+04 Potential Pressure (bar) -3.32776e+06 -5.34464e+03 Step Time 1803 1803.00000 Step Time 1804 1804.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96998e+03 6.01392e+03 1.98547e+04 2.52066e+02 -1.07750e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03629e+03 1.16974e+05 5.49273e+05 -4.03658e+06 1.04998e+04 Potential Pressure (bar) -3.32778e+06 -5.34514e+03 Step Time 1805 1805.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97419e+03 6.01176e+03 1.98547e+04 2.52091e+02 -1.07760e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03735e+03 1.16972e+05 5.49304e+05 -4.03663e+06 1.04994e+04 Potential Pressure (bar) -3.32780e+06 -5.34365e+03 Step Time 1806 1806.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98542e+03 6.01706e+03 1.98547e+04 2.52052e+02 -1.07757e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03590e+03 1.16974e+05 5.49332e+05 -4.03669e+06 1.04984e+04 Potential Pressure (bar) -3.32782e+06 -5.34459e+03 Step Time 1807 1807.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99591e+03 6.01417e+03 1.98547e+04 2.52092e+02 -1.07770e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03748e+03 1.16971e+05 5.49363e+05 -4.03674e+06 1.04981e+04 Potential Pressure (bar) -3.32783e+06 -5.34260e+03 Step Time 1808 1808.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01662e+03 6.02334e+03 1.98546e+04 2.52040e+02 -1.07763e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03543e+03 1.16975e+05 5.49392e+05 -4.03681e+06 1.04971e+04 Potential Pressure (bar) -3.32784e+06 -5.34415e+03 Step Time 1809 1809.00000 Step Time 1810 1810.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95573e+03 6.01036e+03 1.98547e+04 2.52064e+02 -1.07771e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03653e+03 1.16972e+05 5.49406e+05 -4.03683e+06 1.04968e+04 Potential Pressure (bar) -3.32792e+06 -5.34245e+03 Step Time 1811 1811.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04840e+03 6.02817e+03 1.98545e+04 2.52013e+02 -1.07784e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03468e+03 1.16974e+05 5.49565e+05 -4.03714e+06 1.04929e+04 Potential Pressure (bar) -3.32797e+06 -5.34198e+03 Step Time 1812 1812.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96257e+03 6.01073e+03 1.98546e+04 2.52049e+02 -1.07796e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03629e+03 1.16971e+05 5.49583e+05 -4.03716e+06 1.04928e+04 Potential Pressure (bar) -3.32808e+06 -5.33962e+03 Step Time 1813 1813.00000 Step Time 1814 1814.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97820e+03 6.01553e+03 1.98545e+04 2.52014e+02 -1.07794e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03517e+03 1.16973e+05 5.49616e+05 -4.03724e+06 1.04918e+04 Potential Pressure (bar) -3.32810e+06 -5.34010e+03 Step Time 1815 1815.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97298e+03 6.01176e+03 1.98546e+04 2.52046e+02 -1.07805e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03633e+03 1.16970e+05 5.49643e+05 -4.03728e+06 1.04915e+04 Potential Pressure (bar) -3.32812e+06 -5.33858e+03 Step Time 1816 1816.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99801e+03 6.01953e+03 1.98545e+04 2.51999e+02 -1.07800e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03477e+03 1.16973e+05 5.49675e+05 -4.03735e+06 1.04904e+04 Potential Pressure (bar) -3.32813e+06 -5.33956e+03 Step Time 1817 1817.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99594e+03 6.01431e+03 1.98546e+04 2.52049e+02 -1.07814e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03648e+03 1.16969e+05 5.49702e+05 -4.03739e+06 1.04902e+04 Potential Pressure (bar) -3.32815e+06 -5.33757e+03 Step Time 1818 1818.00000 Step Time 1819 1819.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95780e+03 6.01147e+03 1.98545e+04 2.52012e+02 -1.07810e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03533e+03 1.16971e+05 5.49716e+05 -4.03742e+06 1.04895e+04 Potential Pressure (bar) -3.32821e+06 -5.33807e+03 Step Time 1820 1820.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01787e+03 6.01710e+03 1.98545e+04 2.52037e+02 -1.07829e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03634e+03 1.16969e+05 5.49819e+05 -4.03761e+06 1.04875e+04 Potential Pressure (bar) -3.32824e+06 -5.33576e+03 Step Time 1821 1821.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96679e+03 6.01353e+03 1.98544e+04 2.51987e+02 -1.07822e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03471e+03 1.16971e+05 5.49836e+05 -4.03766e+06 1.04867e+04 Potential Pressure (bar) -3.32832e+06 -5.33653e+03 Step Time 1822 1822.00000 Step Time 1823 1823.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96765e+03 6.01138e+03 1.98545e+04 2.52006e+02 -1.07831e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03556e+03 1.16970e+05 5.49865e+05 -4.03771e+06 1.04862e+04 Potential Pressure (bar) -3.32834e+06 -5.33529e+03 Step Time 1824 1824.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97730e+03 6.01570e+03 1.98544e+04 2.51970e+02 -1.07828e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03435e+03 1.16971e+05 5.49893e+05 -4.03777e+06 1.04853e+04 Potential Pressure (bar) -3.32836e+06 -5.33595e+03 Step Time 1825 1825.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98115e+03 6.01283e+03 1.98544e+04 2.51996e+02 -1.07838e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03561e+03 1.16969e+05 5.49922e+05 -4.03781e+06 1.04849e+04 Potential Pressure (bar) -3.32838e+06 -5.33432e+03 Step Time 1826 1826.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99824e+03 6.01992e+03 1.98543e+04 2.51953e+02 -1.07833e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03393e+03 1.16972e+05 5.49950e+05 -4.03788e+06 1.04840e+04 Potential Pressure (bar) -3.32839e+06 -5.33543e+03 Step Time 1827 1827.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00990e+03 6.01607e+03 1.98544e+04 2.51998e+02 -1.07847e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03578e+03 1.16968e+05 5.49980e+05 -4.03793e+06 1.04837e+04 Potential Pressure (bar) -3.32840e+06 -5.33331e+03 Step Time 1828 1828.00000 Step Time 1829 1829.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95740e+03 6.01141e+03 1.98544e+04 2.51961e+02 -1.07842e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03454e+03 1.16970e+05 5.49993e+05 -4.03796e+06 1.04830e+04 Potential Pressure (bar) -3.32848e+06 -5.33382e+03 Step Time 1830 1830.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03592e+03 6.01973e+03 1.98544e+04 2.51977e+02 -1.07868e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03545e+03 1.16967e+05 5.50156e+05 -4.03826e+06 1.04796e+04 Potential Pressure (bar) -3.32854e+06 -5.33066e+03 Step Time 1831 1831.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96608e+03 6.01337e+03 1.98543e+04 2.51922e+02 -1.07861e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03371e+03 1.16970e+05 5.50172e+05 -4.03830e+06 1.04788e+04 Potential Pressure (bar) -3.32864e+06 -5.33149e+03 Step Time 1832 1832.00000 Step Time 1833 1833.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97368e+03 6.01223e+03 1.98543e+04 2.51943e+02 -1.07869e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03462e+03 1.16968e+05 5.50205e+05 -4.03836e+06 1.04782e+04 Potential Pressure (bar) -3.32866e+06 -5.33012e+03 Step Time 1834 1834.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97664e+03 6.01565e+03 1.98542e+04 2.51910e+02 -1.07866e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03336e+03 1.16970e+05 5.50230e+05 -4.03841e+06 1.04774e+04 Potential Pressure (bar) -3.32868e+06 -5.33085e+03 Step Time 1835 1835.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99089e+03 6.01418e+03 1.98543e+04 2.51938e+02 -1.07876e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03470e+03 1.16967e+05 5.50262e+05 -4.03847e+06 1.04769e+04 Potential Pressure (bar) -3.32869e+06 -5.32915e+03 Step Time 1836 1836.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99863e+03 6.02013e+03 1.98542e+04 2.51891e+02 -1.07870e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03292e+03 1.16970e+05 5.50287e+05 -4.03853e+06 1.04760e+04 Potential Pressure (bar) -3.32872e+06 -5.33040e+03 Step Time 1837 1837.00000 Step Time 1838 1838.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95783e+03 6.01097e+03 1.98543e+04 2.51913e+02 -1.07877e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03387e+03 1.16968e+05 5.50303e+05 -4.03855e+06 1.04757e+04 Potential Pressure (bar) -3.32877e+06 -5.32895e+03 Step Time 1839 1839.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02037e+03 6.02379e+03 1.98542e+04 2.51859e+02 -1.07882e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03235e+03 1.16970e+05 5.50407e+05 -4.03876e+06 1.04731e+04 Potential Pressure (bar) -3.32881e+06 -5.32893e+03 Step Time 1840 1840.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96414e+03 6.01138e+03 1.98543e+04 2.51895e+02 -1.07891e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03373e+03 1.16967e+05 5.50425e+05 -4.03879e+06 1.04729e+04 Potential Pressure (bar) -3.32888e+06 -5.32692e+03 Step Time 1841 1841.00000 Step Time 1842 1842.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97133e+03 6.01459e+03 1.98542e+04 2.51864e+02 -1.07889e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03277e+03 1.16968e+05 5.50454e+05 -4.03885e+06 1.04720e+04 Potential Pressure (bar) -3.32891e+06 -5.32736e+03 Step Time 1843 1843.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97264e+03 6.01224e+03 1.98542e+04 2.51884e+02 -1.07897e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03374e+03 1.16966e+05 5.50482e+05 -4.03889e+06 1.04716e+04 Potential Pressure (bar) -3.32893e+06 -5.32597e+03 Step Time 1844 1844.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98512e+03 6.01742e+03 1.98542e+04 2.51845e+02 -1.07894e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03239e+03 1.16969e+05 5.50510e+05 -4.03896e+06 1.04707e+04 Potential Pressure (bar) -3.32895e+06 -5.32678e+03 Step Time 1845 1845.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99078e+03 6.01425e+03 1.98542e+04 2.51881e+02 -1.07905e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03384e+03 1.16966e+05 5.50539e+05 -4.03900e+06 1.04704e+04 Potential Pressure (bar) -3.32896e+06 -5.32498e+03 Step Time 1846 1846.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01272e+03 6.02296e+03 1.98541e+04 2.51829e+02 -1.07897e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03193e+03 1.16969e+05 5.50566e+05 -4.03907e+06 1.04693e+04 Potential Pressure (bar) -3.32897e+06 -5.32641e+03 Step Time 1847 1847.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02946e+03 6.01866e+03 1.98542e+04 2.51886e+02 -1.07912e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03407e+03 1.16964e+05 5.50595e+05 -4.03911e+06 1.04693e+04 Potential Pressure (bar) -3.32897e+06 -5.32403e+03 Step Time 1848 1848.00000 Step Time 1849 1849.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95883e+03 6.01206e+03 1.98542e+04 2.51840e+02 -1.07906e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03265e+03 1.16967e+05 5.50608e+05 -4.03914e+06 1.04684e+04 Potential Pressure (bar) -3.32907e+06 -5.32462e+03 Step Time 1850 1850.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06470e+03 6.02378e+03 1.98542e+04 2.51859e+02 -1.07930e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03375e+03 1.16963e+05 5.50768e+05 -4.03944e+06 1.04652e+04 Potential Pressure (bar) -3.32910e+06 -5.32151e+03 Step Time 1851 1851.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97019e+03 6.01455e+03 1.98541e+04 2.51795e+02 -1.07922e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03175e+03 1.16967e+05 5.50783e+05 -4.03949e+06 1.04642e+04 Potential Pressure (bar) -3.32923e+06 -5.32244e+03 Step Time 1852 1852.00000 Step Time 1853 1853.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98086e+03 6.01344e+03 1.98542e+04 2.51815e+02 -1.07930e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03283e+03 1.16964e+05 5.50815e+05 -4.03954e+06 1.04637e+04 Potential Pressure (bar) -3.32925e+06 -5.32093e+03 Step Time 1854 1854.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98403e+03 6.01749e+03 1.98541e+04 2.51777e+02 -1.07925e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03138e+03 1.16967e+05 5.50840e+05 -4.03959e+06 1.04629e+04 Potential Pressure (bar) -3.32927e+06 -5.32187e+03 Step Time 1855 1855.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00403e+03 6.01609e+03 1.98542e+04 2.51814e+02 -1.07936e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03295e+03 1.16963e+05 5.50871e+05 -4.03964e+06 1.04625e+04 Potential Pressure (bar) -3.32927e+06 -5.31998e+03 Step Time 1856 1856.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01294e+03 6.02337e+03 1.98540e+04 2.51761e+02 -1.07929e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03091e+03 1.16967e+05 5.50895e+05 -4.03971e+06 1.04615e+04 Potential Pressure (bar) -3.32929e+06 -5.32149e+03 Step Time 1857 1857.00000 Step Time 1858 1858.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95939e+03 6.01154e+03 1.98541e+04 2.51784e+02 -1.07936e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03200e+03 1.16965e+05 5.50910e+05 -4.03973e+06 1.04612e+04 Potential Pressure (bar) -3.32936e+06 -5.31982e+03 Step Time 1859 1859.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04166e+03 6.02802e+03 1.98540e+04 2.51724e+02 -1.07937e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03030e+03 1.16967e+05 5.51014e+05 -4.03993e+06 1.04587e+04 Potential Pressure (bar) -3.32937e+06 -5.32016e+03 Step Time 1860 1860.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96789e+03 6.01220e+03 1.98541e+04 2.51760e+02 -1.07948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03190e+03 1.16964e+05 5.51031e+05 -4.03996e+06 1.04584e+04 Potential Pressure (bar) -3.32947e+06 -5.31786e+03 Step Time 1861 1861.00000 Step Time 1862 1862.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97680e+03 6.01598e+03 1.98540e+04 2.51726e+02 -1.07945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03080e+03 1.16966e+05 5.51059e+05 -4.04002e+06 1.04575e+04 Potential Pressure (bar) -3.32948e+06 -5.31843e+03 Step Time 1863 1863.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97935e+03 6.01341e+03 1.98541e+04 2.51755e+02 -1.07953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03195e+03 1.16963e+05 5.51086e+05 -4.04006e+06 1.04572e+04 Potential Pressure (bar) -3.32950e+06 -5.31692e+03 Step Time 1864 1864.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99495e+03 6.01964e+03 1.98540e+04 2.51710e+02 -1.07948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03039e+03 1.16966e+05 5.51114e+05 -4.04012e+06 1.04562e+04 Potential Pressure (bar) -3.32952e+06 -5.31794e+03 Step Time 1865 1865.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00380e+03 6.01618e+03 1.98541e+04 2.51753e+02 -1.07960e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03209e+03 1.16962e+05 5.51142e+05 -4.04017e+06 1.04560e+04 Potential Pressure (bar) -3.32953e+06 -5.31596e+03 Step Time 1866 1866.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03128e+03 6.02696e+03 1.98540e+04 2.51689e+02 -1.07951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02989e+03 1.16966e+05 5.51169e+05 -4.04024e+06 1.04549e+04 Potential Pressure (bar) -3.32953e+06 -5.31763e+03 Step Time 1867 1867.00000 Step Time 1868 1868.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.95913e+03 6.01189e+03 1.98540e+04 2.51719e+02 -1.07959e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03108e+03 1.16963e+05 5.51183e+05 -4.04025e+06 1.04547e+04 Potential Pressure (bar) -3.32963e+06 -5.31582e+03 Step Time 1869 1869.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06895e+03 6.03232e+03 1.98539e+04 2.51635e+02 -1.07964e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02901e+03 1.16965e+05 5.51359e+05 -4.04061e+06 1.04503e+04 Potential Pressure (bar) -3.32967e+06 -5.31533e+03 Step Time 1870 1870.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96639e+03 6.01231e+03 1.98540e+04 2.51679e+02 -1.07976e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03073e+03 1.16962e+05 5.51375e+05 -4.04063e+06 1.04501e+04 Potential Pressure (bar) -3.32981e+06 -5.31280e+03 Step Time 1871 1871.00000 Step Time 1872 1872.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98655e+03 6.01797e+03 1.98540e+04 2.51637e+02 -1.07972e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02955e+03 1.16964e+05 5.51408e+05 -4.04070e+06 1.04491e+04 Potential Pressure (bar) -3.32982e+06 -5.31338e+03 Step Time 1873 1873.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97801e+03 6.01352e+03 1.98540e+04 2.51672e+02 -1.07982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03079e+03 1.16961e+05 5.51432e+05 -4.04074e+06 1.04489e+04 Potential Pressure (bar) -3.32985e+06 -5.31178e+03 Step Time 1874 1874.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00968e+03 6.02265e+03 1.98539e+04 2.51620e+02 -1.07975e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02912e+03 1.16964e+05 5.51463e+05 -4.04081e+06 1.04477e+04 Potential Pressure (bar) -3.32985e+06 -5.31292e+03 Step Time 1875 1875.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00394e+03 6.01643e+03 1.98540e+04 2.51671e+02 -1.07988e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03095e+03 1.16960e+05 5.51489e+05 -4.04084e+06 1.04476e+04 Potential Pressure (bar) -3.32987e+06 -5.31081e+03 Step Time 1876 1876.00000 Step Time 1877 1877.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96202e+03 6.01327e+03 1.98540e+04 2.51631e+02 -1.07982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02972e+03 1.16962e+05 5.51503e+05 -4.04087e+06 1.04468e+04 Potential Pressure (bar) -3.32993e+06 -5.31135e+03 Step Time 1878 1878.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02886e+03 6.01967e+03 1.98540e+04 2.51656e+02 -1.07998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03085e+03 1.16959e+05 5.51590e+05 -4.04104e+06 1.04452e+04 Potential Pressure (bar) -3.32994e+06 -5.30928e+03 Step Time 1879 1879.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97273e+03 6.01569e+03 1.98540e+04 2.51597e+02 -1.07989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02911e+03 1.16962e+05 5.51606e+05 -4.04108e+06 1.04443e+04 Potential Pressure (bar) -3.33002e+06 -5.31012e+03 Step Time 1880 1880.00000 Step Time 1881 1881.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97210e+03 6.01316e+03 1.98540e+04 2.51616e+02 -1.07996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03003e+03 1.16960e+05 5.51632e+05 -4.04113e+06 1.04439e+04 Potential Pressure (bar) -3.33005e+06 -5.30887e+03 Step Time 1882 1882.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98512e+03 6.01821e+03 1.98539e+04 2.51580e+02 -1.07991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02875e+03 1.16962e+05 5.51660e+05 -4.04119e+06 1.04430e+04 Potential Pressure (bar) -3.33006e+06 -5.30960e+03 Step Time 1883 1883.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98726e+03 6.01482e+03 1.98540e+04 2.51610e+02 -1.08001e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03010e+03 1.16959e+05 5.51687e+05 -4.04123e+06 1.04427e+04 Potential Pressure (bar) -3.33009e+06 -5.30795e+03 Step Time 1884 1884.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00963e+03 6.02312e+03 1.98539e+04 2.51561e+02 -1.07993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02831e+03 1.16962e+05 5.51714e+05 -4.04130e+06 1.04417e+04 Potential Pressure (bar) -3.33010e+06 -5.30920e+03 Step Time 1885 1885.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01985e+03 6.01855e+03 1.98540e+04 2.51611e+02 -1.08007e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03029e+03 1.16958e+05 5.51742e+05 -4.04134e+06 1.04415e+04 Potential Pressure (bar) -3.33010e+06 -5.30702e+03 Step Time 1886 1886.00000 Step Time 1887 1887.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96132e+03 6.01325e+03 1.98540e+04 2.51573e+02 -1.08001e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02896e+03 1.16961e+05 5.51754e+05 -4.04137e+06 1.04408e+04 Potential Pressure (bar) -3.33019e+06 -5.30758e+03 Step Time 1888 1888.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04959e+03 6.02264e+03 1.98540e+04 2.51572e+02 -1.08020e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.03002e+03 1.16957e+05 5.51887e+05 -4.04162e+06 1.04380e+04 Potential Pressure (bar) -3.33021e+06 -5.30485e+03 Step Time 1889 1889.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97160e+03 6.01559e+03 1.98539e+04 2.51518e+02 -1.08011e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02816e+03 1.16960e+05 5.51902e+05 -4.04166e+06 1.04371e+04 Potential Pressure (bar) -3.33032e+06 -5.30574e+03 Step Time 1890 1890.00000 Step Time 1891 1891.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97885e+03 6.01415e+03 1.98540e+04 2.51541e+02 -1.08018e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02915e+03 1.16958e+05 5.51932e+05 -4.04171e+06 1.04366e+04 Potential Pressure (bar) -3.33034e+06 -5.30436e+03 Step Time 1892 1892.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98406e+03 6.01822e+03 1.98539e+04 2.51506e+02 -1.08013e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02779e+03 1.16960e+05 5.51956e+05 -4.04176e+06 1.04358e+04 Potential Pressure (bar) -3.33036e+06 -5.30522e+03 Step Time 1893 1893.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99830e+03 6.01636e+03 1.98540e+04 2.51535e+02 -1.08023e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02924e+03 1.16957e+05 5.51986e+05 -4.04181e+06 1.04353e+04 Potential Pressure (bar) -3.33036e+06 -5.30345e+03 Step Time 1894 1894.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00970e+03 6.02345e+03 1.98539e+04 2.51485e+02 -1.08015e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02733e+03 1.16961e+05 5.52010e+05 -4.04187e+06 1.04344e+04 Potential Pressure (bar) -3.33038e+06 -5.30486e+03 Step Time 1895 1895.00000 Step Time 1896 1896.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96124e+03 6.01276e+03 1.98540e+04 2.51507e+02 -1.08022e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02835e+03 1.16958e+05 5.52024e+05 -4.04189e+06 1.04342e+04 Potential Pressure (bar) -3.33045e+06 -5.30331e+03 Step Time 1897 1897.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03528e+03 6.02754e+03 1.98539e+04 2.51449e+02 -1.08021e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02669e+03 1.16960e+05 5.52134e+05 -4.04211e+06 1.04313e+04 Potential Pressure (bar) -3.33047e+06 -5.30338e+03 Step Time 1898 1898.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96810e+03 6.01325e+03 1.98540e+04 2.51483e+02 -1.08032e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02819e+03 1.16957e+05 5.52151e+05 -4.04214e+06 1.04311e+04 Potential Pressure (bar) -3.33057e+06 -5.30126e+03 Step Time 1899 1899.00000 Step Time 1900 1900.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97780e+03 6.01698e+03 1.98539e+04 2.51449e+02 -1.08029e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02716e+03 1.16959e+05 5.52179e+05 -4.04220e+06 1.04303e+04 Potential Pressure (bar) -3.33058e+06 -5.30177e+03 Step Time 1901 1901.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97761e+03 6.01423e+03 1.98540e+04 2.51473e+02 -1.08037e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02822e+03 1.16957e+05 5.52204e+05 -4.04224e+06 1.04299e+04 Potential Pressure (bar) -3.33060e+06 -5.30037e+03 Step Time 1902 1902.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99396e+03 6.02028e+03 1.98539e+04 2.51427e+02 -1.08031e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02676e+03 1.16959e+05 5.52231e+05 -4.04230e+06 1.04289e+04 Potential Pressure (bar) -3.33062e+06 -5.30128e+03 Step Time 1903 1903.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99814e+03 6.01652e+03 1.98540e+04 2.51469e+02 -1.08042e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02833e+03 1.16956e+05 5.52258e+05 -4.04235e+06 1.04287e+04 Potential Pressure (bar) -3.33064e+06 -5.29947e+03 Step Time 1904 1904.00000 Step Time 1905 1905.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96211e+03 6.01373e+03 1.98540e+04 2.51435e+02 -1.08037e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02726e+03 1.16957e+05 5.52270e+05 -4.04238e+06 1.04281e+04 Potential Pressure (bar) -3.33069e+06 -5.29994e+03 Step Time 1906 1906.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01733e+03 6.01918e+03 1.98540e+04 2.51440e+02 -1.08051e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02806e+03 1.16954e+05 5.52394e+05 -4.04261e+06 1.04253e+04 Potential Pressure (bar) -3.33075e+06 -5.29739e+03 Step Time 1907 1907.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96907e+03 6.01546e+03 1.98540e+04 2.51392e+02 -1.08045e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02655e+03 1.16957e+05 5.52409e+05 -4.04266e+06 1.04246e+04 Potential Pressure (bar) -3.33083e+06 -5.29815e+03 Step Time 1908 1908.00000 Step Time 1909 1909.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97270e+03 6.01401e+03 1.98540e+04 2.51406e+02 -1.08051e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02732e+03 1.16955e+05 5.52438e+05 -4.04270e+06 1.04241e+04 Potential Pressure (bar) -3.33085e+06 -5.29698e+03 Step Time 1910 1910.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97741e+03 6.01727e+03 1.98540e+04 2.51375e+02 -1.08047e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02621e+03 1.16957e+05 5.52462e+05 -4.04276e+06 1.04233e+04 Potential Pressure (bar) -3.33087e+06 -5.29760e+03 Step Time 1911 1911.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98491e+03 6.01536e+03 1.98540e+04 2.51401e+02 -1.08055e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02736e+03 1.16954e+05 5.52490e+05 -4.04280e+06 1.04228e+04 Potential Pressure (bar) -3.33088e+06 -5.29609e+03 Step Time 1912 1912.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99444e+03 6.02077e+03 1.98539e+04 2.51357e+02 -1.08049e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02581e+03 1.16957e+05 5.52514e+05 -4.04286e+06 1.04220e+04 Potential Pressure (bar) -3.33090e+06 -5.29715e+03 Step Time 1913 1913.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01044e+03 6.01828e+03 1.98541e+04 2.51396e+02 -1.08060e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02750e+03 1.16954e+05 5.52542e+05 -4.04290e+06 1.04216e+04 Potential Pressure (bar) -3.33090e+06 -5.29519e+03 Step Time 1914 1914.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02912e+03 6.02779e+03 1.98539e+04 2.51336e+02 -1.08050e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02531e+03 1.16958e+05 5.52566e+05 -4.04297e+06 1.04207e+04 Potential Pressure (bar) -3.33091e+06 -5.29690e+03 Step Time 1915 1915.00000 Step Time 1916 1916.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96244e+03 6.01349e+03 1.98540e+04 2.51361e+02 -1.08058e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02649e+03 1.16955e+05 5.52580e+05 -4.04298e+06 1.04204e+04 Potential Pressure (bar) -3.33100e+06 -5.29512e+03 Step Time 1917 1917.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06402e+03 6.03318e+03 1.98539e+04 2.51295e+02 -1.08057e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02458e+03 1.16957e+05 5.52703e+05 -4.04323e+06 1.04172e+04 Potential Pressure (bar) -3.33101e+06 -5.29538e+03 Step Time 1918 1918.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97099e+03 6.01413e+03 1.98540e+04 2.51333e+02 -1.08069e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02630e+03 1.16954e+05 5.52719e+05 -4.04325e+06 1.04171e+04 Potential Pressure (bar) -3.33113e+06 -5.29291e+03 Step Time 1919 1919.00000 Step Time 1920 1920.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98593e+03 6.01906e+03 1.98540e+04 2.51297e+02 -1.08063e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02512e+03 1.16955e+05 5.52748e+05 -4.04332e+06 1.04161e+04 Potential Pressure (bar) -3.33114e+06 -5.29355e+03 Step Time 1921 1921.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98339e+03 6.01543e+03 1.98540e+04 2.51326e+02 -1.08073e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02636e+03 1.16953e+05 5.52773e+05 -4.04336e+06 1.04158e+04 Potential Pressure (bar) -3.33116e+06 -5.29199e+03 Step Time 1922 1922.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00781e+03 6.02352e+03 1.98540e+04 2.51274e+02 -1.08065e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02470e+03 1.16955e+05 5.52800e+05 -4.04342e+06 1.04148e+04 Potential Pressure (bar) -3.33117e+06 -5.29315e+03 Step Time 1923 1923.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01042e+03 6.01847e+03 1.98541e+04 2.51320e+02 -1.08078e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02652e+03 1.16952e+05 5.52825e+05 -4.04346e+06 1.04147e+04 Potential Pressure (bar) -3.33119e+06 -5.29108e+03 Step Time 1924 1924.00000 Step Time 1925 1925.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96393e+03 6.01471e+03 1.98540e+04 2.51282e+02 -1.08071e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02530e+03 1.16954e+05 5.52838e+05 -4.04349e+06 1.04139e+04 Potential Pressure (bar) -3.33126e+06 -5.29163e+03 Step Time 1926 1926.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03588e+03 6.02196e+03 1.98541e+04 2.51301e+02 -1.08086e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02633e+03 1.16951e+05 5.52944e+05 -4.04369e+06 1.04118e+04 Potential Pressure (bar) -3.33128e+06 -5.28935e+03 Step Time 1927 1927.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97351e+03 6.01696e+03 1.98540e+04 2.51241e+02 -1.08077e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02460e+03 1.16954e+05 5.52958e+05 -4.04373e+06 1.04109e+04 Potential Pressure (bar) -3.33137e+06 -5.29017e+03 Step Time 1928 1928.00000 Step Time 1929 1929.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97693e+03 6.01508e+03 1.98541e+04 2.51264e+02 -1.08084e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02550e+03 1.16951e+05 5.52985e+05 -4.04378e+06 1.04104e+04 Potential Pressure (bar) -3.33139e+06 -5.28893e+03 Step Time 1930 1930.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98492e+03 6.01935e+03 1.98540e+04 2.51223e+02 -1.08079e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02424e+03 1.16954e+05 5.53010e+05 -4.04383e+06 1.04096e+04 Potential Pressure (bar) -3.33141e+06 -5.28968e+03 Step Time 1931 1931.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99292e+03 6.01687e+03 1.98541e+04 2.51255e+02 -1.08088e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02558e+03 1.16951e+05 5.53037e+05 -4.04388e+06 1.04092e+04 Potential Pressure (bar) -3.33142e+06 -5.28806e+03 Step Time 1932 1932.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00797e+03 6.02403e+03 1.98540e+04 2.51200e+02 -1.08080e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02380e+03 1.16954e+05 5.53061e+05 -4.04394e+06 1.04082e+04 Potential Pressure (bar) -3.33143e+06 -5.28934e+03 Step Time 1933 1933.00000 Step Time 1934 1934.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96308e+03 6.01418e+03 1.98541e+04 2.51223e+02 -1.08086e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02474e+03 1.16952e+05 5.53075e+05 -4.04396e+06 1.04080e+04 Potential Pressure (bar) -3.33150e+06 -5.28791e+03 Step Time 1935 1935.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03108e+03 6.02761e+03 1.98540e+04 2.51159e+02 -1.08087e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02309e+03 1.16953e+05 5.53207e+05 -4.04423e+06 1.04045e+04 Potential Pressure (bar) -3.33156e+06 -5.28756e+03 Step Time 1936 1936.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96829e+03 6.01451e+03 1.98541e+04 2.51187e+02 -1.08096e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02446e+03 1.16950e+05 5.53223e+05 -4.04425e+06 1.04043e+04 Potential Pressure (bar) -3.33164e+06 -5.28558e+03 Step Time 1937 1937.00000 Step Time 1938 1938.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97955e+03 6.01831e+03 1.98541e+04 2.51154e+02 -1.08093e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02349e+03 1.16952e+05 5.53252e+05 -4.04431e+06 1.04034e+04 Potential Pressure (bar) -3.33166e+06 -5.28598e+03 Step Time 1939 1939.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97596e+03 6.01529e+03 1.98541e+04 2.51178e+02 -1.08100e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02446e+03 1.16950e+05 5.53275e+05 -4.04435e+06 1.04031e+04 Potential Pressure (bar) -3.33168e+06 -5.28469e+03 Step Time 1940 1940.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99415e+03 6.02133e+03 1.98541e+04 2.51134e+02 -1.08094e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02311e+03 1.16952e+05 5.53303e+05 -4.04441e+06 1.04021e+04 Potential Pressure (bar) -3.33169e+06 -5.28553e+03 Step Time 1941 1941.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99286e+03 6.01715e+03 1.98542e+04 2.51172e+02 -1.08104e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02456e+03 1.16949e+05 5.53327e+05 -4.04445e+06 1.04019e+04 Potential Pressure (bar) -3.33172e+06 -5.28382e+03 Step Time 1942 1942.00000 Step Time 1943 1943.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96472e+03 6.01529e+03 1.98541e+04 2.51141e+02 -1.08100e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02357e+03 1.16950e+05 5.53341e+05 -4.04448e+06 1.04012e+04 Potential Pressure (bar) -3.33176e+06 -5.28424e+03 Step Time 1944 1944.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00903e+03 6.01925e+03 1.98542e+04 2.51151e+02 -1.08111e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02435e+03 1.16948e+05 5.53434e+05 -4.04466e+06 1.03992e+04 Potential Pressure (bar) -3.33180e+06 -5.28221e+03 Step Time 1945 1945.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97134e+03 6.01695e+03 1.98541e+04 2.51106e+02 -1.08104e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02296e+03 1.16950e+05 5.53449e+05 -4.04470e+06 1.03984e+04 Potential Pressure (bar) -3.33187e+06 -5.28294e+03 Step Time 1946 1946.00000 Step Time 1947 1947.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97213e+03 6.01517e+03 1.98542e+04 2.51119e+02 -1.08110e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02367e+03 1.16948e+05 5.53475e+05 -4.04474e+06 1.03980e+04 Potential Pressure (bar) -3.33189e+06 -5.28184e+03 Step Time 1948 1948.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97906e+03 6.01863e+03 1.98541e+04 2.51086e+02 -1.08106e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02264e+03 1.16950e+05 5.53500e+05 -4.04480e+06 1.03971e+04 Potential Pressure (bar) -3.33191e+06 -5.28239e+03 Step Time 1949 1949.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98210e+03 6.01623e+03 1.98542e+04 2.51111e+02 -1.08114e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02369e+03 1.16948e+05 5.53526e+05 -4.04484e+06 1.03967e+04 Potential Pressure (bar) -3.33193e+06 -5.28100e+03 Step Time 1950 1950.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99446e+03 6.02183e+03 1.98542e+04 2.51066e+02 -1.08107e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02224e+03 1.16950e+05 5.53550e+05 -4.04490e+06 1.03958e+04 Potential Pressure (bar) -3.33194e+06 -5.28195e+03 Step Time 1951 1951.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00324e+03 6.01863e+03 1.98542e+04 2.51104e+02 -1.08118e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02381e+03 1.16947e+05 5.53576e+05 -4.04494e+06 1.03955e+04 Potential Pressure (bar) -3.33195e+06 -5.28012e+03 Step Time 1952 1952.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02548e+03 6.02810e+03 1.98542e+04 2.51045e+02 -1.08108e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02177e+03 1.16950e+05 5.53601e+05 -4.04500e+06 1.03946e+04 Potential Pressure (bar) -3.33196e+06 -5.28170e+03 Step Time 1953 1953.00000 Step Time 1954 1954.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96428e+03 6.01499e+03 1.98542e+04 2.51073e+02 -1.08116e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02286e+03 1.16948e+05 5.53614e+05 -4.04502e+06 1.03943e+04 Potential Pressure (bar) -3.33204e+06 -5.28007e+03 Step Time 1955 1955.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05694e+03 6.03275e+03 1.98542e+04 2.50989e+02 -1.08113e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02094e+03 1.16950e+05 5.53762e+05 -4.04533e+06 1.03904e+04 Potential Pressure (bar) -3.33209e+06 -5.27980e+03 Step Time 1956 1956.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97081e+03 6.01542e+03 1.98543e+04 2.51028e+02 -1.08126e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02255e+03 1.16946e+05 5.53777e+05 -4.04534e+06 1.03903e+04 Potential Pressure (bar) -3.33220e+06 -5.27752e+03 Step Time 1957 1957.00000 Step Time 1958 1958.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98714e+03 6.02036e+03 1.98543e+04 2.50987e+02 -1.08120e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02144e+03 1.16948e+05 5.53807e+05 -4.04541e+06 1.03892e+04 Potential Pressure (bar) -3.33222e+06 -5.27805e+03 Step Time 1959 1959.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98091e+03 6.01648e+03 1.98543e+04 2.51018e+02 -1.08129e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02259e+03 1.16946e+05 5.53830e+05 -4.04545e+06 1.03890e+04 Potential Pressure (bar) -3.33224e+06 -5.27664e+03 Step Time 1960 1960.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00679e+03 6.02439e+03 1.98542e+04 2.50969e+02 -1.08121e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02103e+03 1.16948e+05 5.53857e+05 -4.04551e+06 1.03879e+04 Potential Pressure (bar) -3.33224e+06 -5.27767e+03 Step Time 1961 1961.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00331e+03 6.01896e+03 1.98543e+04 2.51017e+02 -1.08133e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02273e+03 1.16945e+05 5.53880e+05 -4.04555e+06 1.03878e+04 Potential Pressure (bar) -3.33227e+06 -5.27573e+03 Step Time 1962 1962.00000 Step Time 1963 1963.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96658e+03 6.01635e+03 1.98543e+04 2.50980e+02 -1.08127e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02158e+03 1.16946e+05 5.53894e+05 -4.04558e+06 1.03871e+04 Potential Pressure (bar) -3.33233e+06 -5.27623e+03 Step Time 1964 1964.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02482e+03 6.02175e+03 1.98544e+04 2.50999e+02 -1.08140e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02259e+03 1.16943e+05 5.53979e+05 -4.04574e+06 1.03854e+04 Potential Pressure (bar) -3.33234e+06 -5.27429e+03 Step Time 1965 1965.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97560e+03 6.01849e+03 1.98543e+04 2.50943e+02 -1.08131e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02097e+03 1.16946e+05 5.53993e+05 -4.04578e+06 1.03845e+04 Potential Pressure (bar) -3.33242e+06 -5.27511e+03 Step Time 1966 1966.00000 Step Time 1967 1967.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97581e+03 6.01625e+03 1.98544e+04 2.50962e+02 -1.08138e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02181e+03 1.16944e+05 5.54017e+05 -4.04582e+06 1.03841e+04 Potential Pressure (bar) -3.33244e+06 -5.27395e+03 Step Time 1968 1968.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98605e+03 6.02069e+03 1.98543e+04 2.50924e+02 -1.08132e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02061e+03 1.16946e+05 5.54042e+05 -4.04588e+06 1.03832e+04 Potential Pressure (bar) -3.33245e+06 -5.27464e+03 Step Time 1969 1969.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98893e+03 6.01769e+03 1.98544e+04 2.50954e+02 -1.08141e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02186e+03 1.16943e+05 5.54068e+05 -4.04592e+06 1.03828e+04 Potential Pressure (bar) -3.33247e+06 -5.27312e+03 Step Time 1970 1970.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00684e+03 6.02489e+03 1.98543e+04 2.50907e+02 -1.08132e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02020e+03 1.16946e+05 5.54092e+05 -4.04598e+06 1.03819e+04 Potential Pressure (bar) -3.33248e+06 -5.27426e+03 Step Time 1971 1971.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01703e+03 6.02090e+03 1.98545e+04 2.50956e+02 -1.08145e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02203e+03 1.16942e+05 5.54118e+05 -4.04601e+06 1.03817e+04 Potential Pressure (bar) -3.33249e+06 -5.27225e+03 Step Time 1972 1972.00000 Step Time 1973 1973.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96611e+03 6.01645e+03 1.98544e+04 2.50913e+02 -1.08139e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02080e+03 1.16944e+05 5.54129e+05 -4.04604e+06 1.03811e+04 Potential Pressure (bar) -3.33256e+06 -5.27278e+03 Step Time 1974 1974.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04266e+03 6.02447e+03 1.98545e+04 2.50915e+02 -1.08153e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02170e+03 1.16941e+05 5.54262e+05 -4.04630e+06 1.03780e+04 Potential Pressure (bar) -3.33261e+06 -5.27019e+03 Step Time 1975 1975.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97478e+03 6.01854e+03 1.98544e+04 2.50858e+02 -1.08144e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01996e+03 1.16944e+05 5.54276e+05 -4.04634e+06 1.03772e+04 Potential Pressure (bar) -3.33271e+06 -5.27103e+03 Step Time 1976 1976.00000 Step Time 1977 1977.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98173e+03 6.01727e+03 1.98545e+04 2.50879e+02 -1.08151e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02089e+03 1.16942e+05 5.54304e+05 -4.04639e+06 1.03767e+04 Potential Pressure (bar) -3.33272e+06 -5.26975e+03 Step Time 1978 1978.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98526e+03 6.02084e+03 1.98545e+04 2.50841e+02 -1.08145e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01962e+03 1.16944e+05 5.54325e+05 -4.04644e+06 1.03759e+04 Potential Pressure (bar) -3.33275e+06 -5.27053e+03 Step Time 1979 1979.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99855e+03 6.01918e+03 1.98545e+04 2.50871e+02 -1.08154e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02097e+03 1.16941e+05 5.54353e+05 -4.04648e+06 1.03755e+04 Potential Pressure (bar) -3.33275e+06 -5.26892e+03 Step Time 1980 1980.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00700e+03 6.02533e+03 1.98545e+04 2.50822e+02 -1.08146e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01918e+03 1.16944e+05 5.54375e+05 -4.04654e+06 1.03746e+04 Potential Pressure (bar) -3.33277e+06 -5.27019e+03 Step Time 1981 1981.00000 Step Time 1982 1982.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96637e+03 6.01616e+03 1.98545e+04 2.50842e+02 -1.08153e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02013e+03 1.16942e+05 5.54388e+05 -4.04656e+06 1.03744e+04 Potential Pressure (bar) -3.33283e+06 -5.26881e+03 Step Time 1983 1983.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02857e+03 6.02898e+03 1.98545e+04 2.50786e+02 -1.08148e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01858e+03 1.16944e+05 5.54483e+05 -4.04676e+06 1.03717e+04 Potential Pressure (bar) -3.33286e+06 -5.26900e+03 Step Time 1984 1984.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97248e+03 6.01661e+03 1.98546e+04 2.50816e+02 -1.08158e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01996e+03 1.16941e+05 5.54498e+05 -4.04678e+06 1.03716e+04 Potential Pressure (bar) -3.33294e+06 -5.26708e+03 Step Time 1985 1985.00000 Step Time 1986 1986.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97998e+03 6.01991e+03 1.98545e+04 2.50784e+02 -1.08155e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01901e+03 1.16942e+05 5.54523e+05 -4.04683e+06 1.03707e+04 Potential Pressure (bar) -3.33296e+06 -5.26757e+03 Step Time 1987 1987.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98077e+03 6.01747e+03 1.98546e+04 2.50807e+02 -1.08162e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01998e+03 1.16940e+05 5.54547e+05 -4.04687e+06 1.03704e+04 Potential Pressure (bar) -3.33297e+06 -5.26629e+03 Step Time 1988 1988.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99363e+03 6.02276e+03 1.98546e+04 2.50765e+02 -1.08155e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01863e+03 1.16942e+05 5.54571e+05 -4.04693e+06 1.03694e+04 Potential Pressure (bar) -3.33299e+06 -5.26712e+03 Step Time 1989 1989.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99849e+03 6.01944e+03 1.98547e+04 2.50801e+02 -1.08166e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.02008e+03 1.16939e+05 5.54596e+05 -4.04697e+06 1.03691e+04 Potential Pressure (bar) -3.33300e+06 -5.26541e+03 Step Time 1990 1990.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02087e+03 6.02830e+03 1.98546e+04 2.50744e+02 -1.08156e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01818e+03 1.16942e+05 5.54620e+05 -4.04703e+06 1.03681e+04 Potential Pressure (bar) -3.33301e+06 -5.26687e+03 Step Time 1991 1991.00000 Step Time 1992 1992.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96639e+03 6.01667e+03 1.98547e+04 2.50767e+02 -1.08163e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01919e+03 1.16940e+05 5.54632e+05 -4.04705e+06 1.03679e+04 Potential Pressure (bar) -3.33308e+06 -5.26535e+03 Step Time 1993 1993.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04901e+03 6.03251e+03 1.98547e+04 2.50682e+02 -1.08162e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01727e+03 1.16941e+05 5.54800e+05 -4.04739e+06 1.03634e+04 Potential Pressure (bar) -3.33317e+06 -5.26470e+03 Step Time 1994 1994.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97164e+03 6.01701e+03 1.98547e+04 2.50716e+02 -1.08173e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01876e+03 1.16938e+05 5.54815e+05 -4.04741e+06 1.03633e+04 Potential Pressure (bar) -3.33327e+06 -5.26259e+03 Step Time 1995 1995.00000 Step Time 1996 1996.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98748e+03 6.02172e+03 1.98547e+04 2.50677e+02 -1.08168e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01773e+03 1.16940e+05 5.54844e+05 -4.04748e+06 1.03623e+04 Potential Pressure (bar) -3.33328e+06 -5.26307e+03 Step Time 1997 1997.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98000e+03 6.01787e+03 1.98548e+04 2.50704e+02 -1.08175e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01880e+03 1.16937e+05 5.54865e+05 -4.04752e+06 1.03620e+04 Potential Pressure (bar) -3.33331e+06 -5.26173e+03 Step Time 1998 1998.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00484e+03 6.02529e+03 1.98547e+04 2.50656e+02 -1.08168e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01734e+03 1.16940e+05 5.54893e+05 -4.04758e+06 1.03609e+04 Potential Pressure (bar) -3.33332e+06 -5.26268e+03 Step Time 1999 1999.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99878e+03 6.01992e+03 1.98548e+04 2.50700e+02 -1.08179e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01892e+03 1.16936e+05 5.54915e+05 -4.04761e+06 1.03607e+04 Potential Pressure (bar) -3.33334e+06 -5.26087e+03 Step Time 2000 2000.00000 Step Time 2001 2001.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96902e+03 6.01809e+03 1.98548e+04 2.50664e+02 -1.08174e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01785e+03 1.16938e+05 5.54928e+05 -4.04765e+06 1.03601e+04 Potential Pressure (bar) -3.33339e+06 -5.26135e+03 Step Time 2002 2002.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01692e+03 6.02226e+03 1.98549e+04 2.50678e+02 -1.08184e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01878e+03 1.16935e+05 5.55003e+05 -4.04779e+06 1.03586e+04 Potential Pressure (bar) -3.33341e+06 -5.25957e+03 Step Time 2003 2003.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97716e+03 6.02008e+03 1.98548e+04 2.50631e+02 -1.08176e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01728e+03 1.16938e+05 5.55017e+05 -4.04783e+06 1.03577e+04 Potential Pressure (bar) -3.33348e+06 -5.26035e+03 Step Time 2004 2004.00000 Step Time 2005 2005.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97586e+03 6.01778e+03 1.98549e+04 2.50648e+02 -1.08182e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01806e+03 1.16936e+05 5.55040e+05 -4.04786e+06 1.03573e+04 Potential Pressure (bar) -3.33350e+06 -5.25927e+03 Step Time 2006 2006.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98649e+03 6.02206e+03 1.98549e+04 2.50610e+02 -1.08177e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01695e+03 1.16938e+05 5.55064e+05 -4.04792e+06 1.03564e+04 Potential Pressure (bar) -3.33351e+06 -5.25986e+03 Step Time 2007 2007.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98681e+03 6.01897e+03 1.98549e+04 2.50635e+02 -1.08185e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01810e+03 1.16935e+05 5.55088e+05 -4.04796e+06 1.03561e+04 Potential Pressure (bar) -3.33353e+06 -5.25845e+03 Step Time 2008 2008.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00485e+03 6.02580e+03 1.98549e+04 2.50592e+02 -1.08178e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01655e+03 1.16938e+05 5.55112e+05 -4.04802e+06 1.03552e+04 Potential Pressure (bar) -3.33354e+06 -5.25948e+03 Step Time 2009 2009.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01044e+03 6.02164e+03 1.98550e+04 2.50635e+02 -1.08189e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01824e+03 1.16934e+05 5.55137e+05 -4.04806e+06 1.03550e+04 Potential Pressure (bar) -3.33356e+06 -5.25763e+03 Step Time 2010 2010.00000 Step Time 2011 2011.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96854e+03 6.01825e+03 1.98549e+04 2.50598e+02 -1.08183e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01710e+03 1.16936e+05 5.55148e+05 -4.04809e+06 1.03543e+04 Potential Pressure (bar) -3.33362e+06 -5.25816e+03 Step Time 2012 2012.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03235e+03 6.02462e+03 1.98551e+04 2.50601e+02 -1.08194e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01798e+03 1.16933e+05 5.55261e+05 -4.04831e+06 1.03517e+04 Potential Pressure (bar) -3.33366e+06 -5.25583e+03 Step Time 2013 2013.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97639e+03 6.02021e+03 1.98550e+04 2.50550e+02 -1.08187e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01637e+03 1.16936e+05 5.55275e+05 -4.04834e+06 1.03509e+04 Potential Pressure (bar) -3.33374e+06 -5.25664e+03 Step Time 2014 2014.00000 Step Time 2015 2015.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98091e+03 6.01871e+03 1.98551e+04 2.50566e+02 -1.08193e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01720e+03 1.16934e+05 5.55301e+05 -4.04839e+06 1.03504e+04 Potential Pressure (bar) -3.33377e+06 -5.25545e+03 Step Time 2016 2016.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98577e+03 6.02227e+03 1.98550e+04 2.50531e+02 -1.08188e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01603e+03 1.16936e+05 5.55323e+05 -4.04845e+06 1.03496e+04 Potential Pressure (bar) -3.33379e+06 -5.25617e+03 Step Time 2017 2017.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99501e+03 6.02030e+03 1.98551e+04 2.50559e+02 -1.08196e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01726e+03 1.16933e+05 5.55348e+05 -4.04848e+06 1.03492e+04 Potential Pressure (bar) -3.33380e+06 -5.25467e+03 Step Time 2018 2018.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00503e+03 6.02624e+03 1.98551e+04 2.50512e+02 -1.08188e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01561e+03 1.16936e+05 5.55370e+05 -4.04854e+06 1.03483e+04 Potential Pressure (bar) -3.33381e+06 -5.25585e+03 Step Time 2019 2019.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02438e+03 6.02369e+03 1.98552e+04 2.50555e+02 -1.08199e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01743e+03 1.16932e+05 5.55396e+05 -4.04858e+06 1.03482e+04 Potential Pressure (bar) -3.33381e+06 -5.25386e+03 Step Time 2020 2020.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04433e+03 6.03423e+03 1.98551e+04 2.50489e+02 -1.08188e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01509e+03 1.16936e+05 5.55418e+05 -4.04864e+06 1.03471e+04 Potential Pressure (bar) -3.33382e+06 -5.25575e+03 Step Time 2021 2021.00000 Step Time 2022 2022.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.96899e+03 6.01809e+03 1.98551e+04 2.50518e+02 -1.08196e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01635e+03 1.16933e+05 5.55430e+05 -4.04865e+06 1.03469e+04 Potential Pressure (bar) -3.33392e+06 -5.25387e+03 Step Time 2023 2023.00000 Step Time 2024 2024.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99239e+03 6.02353e+03 1.98551e+04 2.50477e+02 -1.08194e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01534e+03 1.16934e+05 5.55484e+05 -4.04877e+06 1.03452e+04 Potential Pressure (bar) -3.33395e+06 -5.25399e+03 Step Time 2025 2025.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97260e+03 6.01830e+03 1.98552e+04 2.50499e+02 -1.08200e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01624e+03 1.16932e+05 5.55501e+05 -4.04879e+06 1.03450e+04 Potential Pressure (bar) -3.33399e+06 -5.25275e+03 Step Time 2026 2026.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00840e+03 6.02682e+03 1.98552e+04 2.50454e+02 -1.08194e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01496e+03 1.16934e+05 5.55540e+05 -4.04888e+06 1.03437e+04 Potential Pressure (bar) -3.33399e+06 -5.25346e+03 Step Time 2027 2027.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98277e+03 6.01931e+03 1.98553e+04 2.50488e+02 -1.08204e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01629e+03 1.16931e+05 5.55558e+05 -4.04891e+06 1.03435e+04 Potential Pressure (bar) -3.33403e+06 -5.25180e+03 Step Time 2028 2028.00000 Step Time 2029 2029.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97367e+03 6.02004e+03 1.98552e+04 2.50458e+02 -1.08199e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01537e+03 1.16933e+05 5.55574e+05 -4.04895e+06 1.03429e+04 Potential Pressure (bar) -3.33407e+06 -5.25223e+03 Step Time 2030 2030.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99366e+03 6.02058e+03 1.98553e+04 2.50477e+02 -1.08207e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01626e+03 1.16931e+05 5.55611e+05 -4.04902e+06 1.03422e+04 Potential Pressure (bar) -3.33408e+06 -5.25095e+03 Step Time 2031 2031.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98268e+03 6.02207e+03 1.98552e+04 2.50436e+02 -1.08200e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01497e+03 1.16933e+05 5.55628e+05 -4.04906e+06 1.03414e+04 Potential Pressure (bar) -3.33412e+06 -5.25170e+03 Step Time 2032 2032.00000 Step Time 2033 2033.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97078e+03 6.01846e+03 1.98553e+04 2.50450e+02 -1.08205e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01564e+03 1.16931e+05 5.55645e+05 -4.04909e+06 1.03411e+04 Potential Pressure (bar) -3.33414e+06 -5.25074e+03 Step Time 2034 2034.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99193e+03 6.02395e+03 1.98553e+04 2.50414e+02 -1.08201e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01462e+03 1.16932e+05 5.55684e+05 -4.04917e+06 1.03399e+04 Potential Pressure (bar) -3.33416e+06 -5.25109e+03 Step Time 2035 2035.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97626e+03 6.01895e+03 1.98553e+04 2.50436e+02 -1.08208e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01560e+03 1.16930e+05 5.55702e+05 -4.04920e+06 1.03396e+04 Potential Pressure (bar) -3.33420e+06 -5.24982e+03 Step Time 2036 2036.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00880e+03 6.02733e+03 1.98553e+04 2.50392e+02 -1.08202e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01423e+03 1.16932e+05 5.55734e+05 -4.04928e+06 1.03385e+04 Potential Pressure (bar) -3.33420e+06 -5.25067e+03 Step Time 2037 2037.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98986e+03 6.02041e+03 1.98554e+04 2.50429e+02 -1.08212e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01567e+03 1.16929e+05 5.55754e+05 -4.04931e+06 1.03383e+04 Potential Pressure (bar) -3.33424e+06 -5.24894e+03 Step Time 2038 2038.00000 Step Time 2039 2039.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97277e+03 6.02014e+03 1.98554e+04 2.50398e+02 -1.08208e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01469e+03 1.16931e+05 5.55768e+05 -4.04934e+06 1.03376e+04 Potential Pressure (bar) -3.33427e+06 -5.24945e+03 Step Time 2040 2040.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00370e+03 6.02206e+03 1.98555e+04 2.50416e+02 -1.08216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01564e+03 1.16928e+05 5.55816e+05 -4.04943e+06 1.03367e+04 Potential Pressure (bar) -3.33428e+06 -5.24798e+03 Step Time 2041 2041.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98167e+03 6.02218e+03 1.98554e+04 2.50372e+02 -1.08209e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01424e+03 1.16931e+05 5.55831e+05 -4.04947e+06 1.03359e+04 Potential Pressure (bar) -3.33433e+06 -5.24878e+03 Step Time 2042 2042.00000 Step Time 2043 2043.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97344e+03 6.01900e+03 1.98555e+04 2.50387e+02 -1.08214e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01497e+03 1.16929e+05 5.55850e+05 -4.04950e+06 1.03357e+04 Potential Pressure (bar) -3.33436e+06 -5.24777e+03 Step Time 2044 2044.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99115e+03 6.02413e+03 1.98554e+04 2.50352e+02 -1.08209e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01391e+03 1.16931e+05 5.55881e+05 -4.04957e+06 1.03346e+04 Potential Pressure (bar) -3.33437e+06 -5.24827e+03 Step Time 2045 2045.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98107e+03 6.01976e+03 1.98555e+04 2.50377e+02 -1.08217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01497e+03 1.16928e+05 5.55901e+05 -4.04960e+06 1.03343e+04 Potential Pressure (bar) -3.33440e+06 -5.24692e+03 Step Time 2046 2046.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00899e+03 6.02773e+03 1.98555e+04 2.50331e+02 -1.08210e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01352e+03 1.16931e+05 5.55928e+05 -4.04967e+06 1.03333e+04 Potential Pressure (bar) -3.33440e+06 -5.24792e+03 Step Time 2047 2047.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99877e+03 6.02170e+03 1.98556e+04 2.50368e+02 -1.08220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01508e+03 1.16927e+05 5.55949e+05 -4.04970e+06 1.03331e+04 Potential Pressure (bar) -3.33443e+06 -5.24610e+03 Step Time 2048 2048.00000 Step Time 2049 2049.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97197e+03 6.02023e+03 1.98555e+04 2.50333e+02 -1.08215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01403e+03 1.16929e+05 5.55961e+05 -4.04974e+06 1.03325e+04 Potential Pressure (bar) -3.33448e+06 -5.24663e+03 Step Time 2050 2050.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01610e+03 6.02388e+03 1.98556e+04 2.50353e+02 -1.08224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01500e+03 1.16926e+05 5.56025e+05 -4.04986e+06 1.03311e+04 Potential Pressure (bar) -3.33449e+06 -5.24494e+03 Step Time 2051 2051.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98063e+03 6.02229e+03 1.98556e+04 2.50306e+02 -1.08217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01351e+03 1.16929e+05 5.56039e+05 -4.04989e+06 1.03304e+04 Potential Pressure (bar) -3.33456e+06 -5.24579e+03 Step Time 2052 2052.00000 Step Time 2053 2053.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97709e+03 6.01968e+03 1.98556e+04 2.50323e+02 -1.08222e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01428e+03 1.16927e+05 5.56059e+05 -4.04993e+06 1.03299e+04 Potential Pressure (bar) -3.33458e+06 -5.24473e+03 Step Time 2054 2054.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99030e+03 6.02432e+03 1.98556e+04 2.50285e+02 -1.08218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01318e+03 1.16929e+05 5.56085e+05 -4.04998e+06 1.03291e+04 Potential Pressure (bar) -3.33459e+06 -5.24537e+03 Step Time 2055 2055.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98734e+03 6.02078e+03 1.98557e+04 2.50308e+02 -1.08225e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01431e+03 1.16926e+05 5.56107e+05 -4.05002e+06 1.03288e+04 Potential Pressure (bar) -3.33461e+06 -5.24394e+03 Step Time 2056 2056.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00910e+03 6.02813e+03 1.98556e+04 2.50264e+02 -1.08218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01278e+03 1.16929e+05 5.56131e+05 -4.05008e+06 1.03278e+04 Potential Pressure (bar) -3.33462e+06 -5.24503e+03 Step Time 2057 2057.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00990e+03 6.02333e+03 1.98558e+04 2.50304e+02 -1.08229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01446e+03 1.16925e+05 5.56154e+05 -4.05012e+06 1.03276e+04 Potential Pressure (bar) -3.33464e+06 -5.24315e+03 Step Time 2058 2058.00000 Step Time 2059 2059.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97138e+03 6.02037e+03 1.98557e+04 2.50268e+02 -1.08223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01333e+03 1.16927e+05 5.56165e+05 -4.05015e+06 1.03269e+04 Potential Pressure (bar) -3.33470e+06 -5.24369e+03 Step Time 2060 2060.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03116e+03 6.02621e+03 1.98558e+04 2.50283e+02 -1.08235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01427e+03 1.16924e+05 5.56256e+05 -4.05032e+06 1.03250e+04 Potential Pressure (bar) -3.33472e+06 -5.24166e+03 Step Time 2061 2061.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97972e+03 6.02241e+03 1.98558e+04 2.50233e+02 -1.08226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01268e+03 1.16927e+05 5.56269e+05 -4.05036e+06 1.03241e+04 Potential Pressure (bar) -3.33480e+06 -5.24252e+03 Step Time 2062 2062.00000 Step Time 2063 2063.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98189e+03 6.02057e+03 1.98558e+04 2.50247e+02 -1.08232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01350e+03 1.16925e+05 5.56293e+05 -4.05040e+06 1.03236e+04 Potential Pressure (bar) -3.33482e+06 -5.24134e+03 Step Time 2064 2064.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98951e+03 6.02452e+03 1.98558e+04 2.50212e+02 -1.08226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01234e+03 1.16926e+05 5.56315e+05 -4.05045e+06 1.03228e+04 Potential Pressure (bar) -3.33484e+06 -5.24206e+03 Step Time 2065 2065.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99526e+03 6.02208e+03 1.98559e+04 2.50237e+02 -1.08235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01357e+03 1.16924e+05 5.56339e+05 -4.05049e+06 1.03225e+04 Potential Pressure (bar) -3.33485e+06 -5.24056e+03 Step Time 2066 2066.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00929e+03 6.02856e+03 1.98558e+04 2.50192e+02 -1.08227e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01193e+03 1.16926e+05 5.56361e+05 -4.05055e+06 1.03216e+04 Potential Pressure (bar) -3.33486e+06 -5.24178e+03 Step Time 2067 2067.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02351e+03 6.02535e+03 1.98560e+04 2.50235e+02 -1.08238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01374e+03 1.16923e+05 5.56385e+05 -4.05058e+06 1.03213e+04 Potential Pressure (bar) -3.33487e+06 -5.23980e+03 Step Time 2068 2068.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04918e+03 6.03669e+03 1.98559e+04 2.50170e+02 -1.08226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01142e+03 1.16927e+05 5.56407e+05 -4.05064e+06 1.03203e+04 Potential Pressure (bar) -3.33487e+06 -5.24172e+03 Step Time 2069 2069.00000 Step Time 2070 2070.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97103e+03 6.02014e+03 1.98559e+04 2.50196e+02 -1.08234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01268e+03 1.16924e+05 5.56419e+05 -4.05066e+06 1.03201e+04 Potential Pressure (bar) -3.33497e+06 -5.23980e+03 Step Time 2071 2071.00000 Step Time 2072 2072.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99649e+03 6.02580e+03 1.98559e+04 2.50155e+02 -1.08232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01162e+03 1.16925e+05 5.56481e+05 -4.05079e+06 1.03182e+04 Potential Pressure (bar) -3.33501e+06 -5.23982e+03 Step Time 2073 2073.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97418e+03 6.02028e+03 1.98560e+04 2.50173e+02 -1.08238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01253e+03 1.16923e+05 5.56497e+05 -4.05081e+06 1.03181e+04 Potential Pressure (bar) -3.33504e+06 -5.23859e+03 Step Time 2074 2074.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01292e+03 6.02923e+03 1.98560e+04 2.50132e+02 -1.08233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01124e+03 1.16925e+05 5.56538e+05 -4.05090e+06 1.03167e+04 Potential Pressure (bar) -3.33505e+06 -5.23929e+03 Step Time 2075 2075.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98368e+03 6.02123e+03 1.98561e+04 2.50166e+02 -1.08242e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01257e+03 1.16922e+05 5.56555e+05 -4.05093e+06 1.03164e+04 Potential Pressure (bar) -3.33509e+06 -5.23763e+03 Step Time 2076 2076.00000 Step Time 2077 2077.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97693e+03 6.02231e+03 1.98560e+04 2.50133e+02 -1.08238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01166e+03 1.16923e+05 5.56571e+05 -4.05097e+06 1.03158e+04 Potential Pressure (bar) -3.33512e+06 -5.23810e+03 Step Time 2078 2078.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99405e+03 6.02241e+03 1.98561e+04 2.50153e+02 -1.08245e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01256e+03 1.16921e+05 5.56605e+05 -4.05103e+06 1.03151e+04 Potential Pressure (bar) -3.33514e+06 -5.23684e+03 Step Time 2079 2079.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98638e+03 6.02441e+03 1.98561e+04 2.50111e+02 -1.08238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01127e+03 1.16923e+05 5.56622e+05 -4.05107e+06 1.03144e+04 Potential Pressure (bar) -3.33517e+06 -5.23762e+03 Step Time 2080 2080.00000 Step Time 2081 2081.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97265e+03 6.02051e+03 1.98561e+04 2.50126e+02 -1.08243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01194e+03 1.16922e+05 5.56637e+05 -4.05110e+06 1.03141e+04 Potential Pressure (bar) -3.33520e+06 -5.23668e+03 Step Time 2082 2082.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99600e+03 6.02636e+03 1.98561e+04 2.50084e+02 -1.08239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01091e+03 1.16923e+05 5.56680e+05 -4.05119e+06 1.03128e+04 Potential Pressure (bar) -3.33522e+06 -5.23700e+03 Step Time 2083 2083.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97762e+03 6.02094e+03 1.98562e+04 2.50111e+02 -1.08247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01189e+03 1.16921e+05 5.56697e+05 -4.05122e+06 1.03126e+04 Potential Pressure (bar) -3.33525e+06 -5.23571e+03 Step Time 2084 2084.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01329e+03 6.02984e+03 1.98561e+04 2.50066e+02 -1.08240e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01053e+03 1.16923e+05 5.56730e+05 -4.05130e+06 1.03114e+04 Potential Pressure (bar) -3.33526e+06 -5.23660e+03 Step Time 2085 2085.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99045e+03 6.02229e+03 1.98562e+04 2.50103e+02 -1.08250e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01197e+03 1.16920e+05 5.56749e+05 -4.05132e+06 1.03112e+04 Potential Pressure (bar) -3.33530e+06 -5.23482e+03 Step Time 2086 2086.00000 Step Time 2087 2087.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97592e+03 6.02242e+03 1.98562e+04 2.50071e+02 -1.08245e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01099e+03 1.16921e+05 5.56763e+05 -4.05136e+06 1.03105e+04 Potential Pressure (bar) -3.33533e+06 -5.23534e+03 Step Time 2088 2088.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00373e+03 6.02387e+03 1.98563e+04 2.50089e+02 -1.08253e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01195e+03 1.16919e+05 5.56805e+05 -4.05144e+06 1.03097e+04 Potential Pressure (bar) -3.33534e+06 -5.23396e+03 Step Time 2089 2089.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98530e+03 6.02456e+03 1.98562e+04 2.50045e+02 -1.08246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01056e+03 1.16921e+05 5.56820e+05 -4.05148e+06 1.03089e+04 Potential Pressure (bar) -3.33538e+06 -5.23479e+03 Step Time 2090 2090.00000 Step Time 2091 2091.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97509e+03 6.02105e+03 1.98563e+04 2.50060e+02 -1.08251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01128e+03 1.16920e+05 5.56837e+05 -4.05151e+06 1.03086e+04 Potential Pressure (bar) -3.33541e+06 -5.23381e+03 Step Time 2092 2092.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99517e+03 6.02658e+03 1.98563e+04 2.50024e+02 -1.08247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01022e+03 1.16921e+05 5.56869e+05 -4.05158e+06 1.03075e+04 Potential Pressure (bar) -3.33543e+06 -5.23428e+03 Step Time 2093 2093.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98218e+03 6.02175e+03 1.98563e+04 2.50051e+02 -1.08254e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01129e+03 1.16919e+05 5.56888e+05 -4.05161e+06 1.03073e+04 Potential Pressure (bar) -3.33546e+06 -5.23294e+03 Step Time 2094 2094.00000 Step Time 2095 2095.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97426e+03 6.02222e+03 1.98563e+04 2.50026e+02 -1.08251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01054e+03 1.16920e+05 5.56902e+05 -4.05165e+06 1.03067e+04 Potential Pressure (bar) -3.33549e+06 -5.23331e+03 Step Time 2096 2096.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98953e+03 6.02262e+03 1.98564e+04 2.50036e+02 -1.08257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01121e+03 1.16918e+05 5.56944e+05 -4.05173e+06 1.03057e+04 Potential Pressure (bar) -3.33551e+06 -5.23212e+03 Step Time 2097 2097.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97962e+03 6.02355e+03 1.98563e+04 2.50001e+02 -1.08252e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01016e+03 1.16920e+05 5.56960e+05 -4.05176e+06 1.03051e+04 Potential Pressure (bar) -3.33554e+06 -5.23269e+03 Step Time 2098 2098.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00361e+03 6.02427e+03 1.98564e+04 2.50024e+02 -1.08260e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01124e+03 1.16917e+05 5.56994e+05 -4.05183e+06 1.03044e+04 Potential Pressure (bar) -3.33555e+06 -5.23129e+03 Step Time 2099 2099.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99189e+03 6.02624e+03 1.98564e+04 2.49977e+02 -1.08252e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00976e+03 1.16919e+05 5.57011e+05 -4.05187e+06 1.03037e+04 Potential Pressure (bar) -3.33559e+06 -5.23222e+03 Step Time 2100 2100.00000 Step Time 2101 2101.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97440e+03 6.02142e+03 1.98564e+04 2.49994e+02 -1.08258e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01053e+03 1.16918e+05 5.57026e+05 -4.05190e+06 1.03034e+04 Potential Pressure (bar) -3.33562e+06 -5.23114e+03 Step Time 2102 2102.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00438e+03 6.02871e+03 1.98564e+04 2.49954e+02 -1.08253e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00938e+03 1.16919e+05 5.57068e+05 -4.05198e+06 1.03021e+04 Potential Pressure (bar) -3.33563e+06 -5.23166e+03 Step Time 2103 2103.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98121e+03 6.02206e+03 1.98565e+04 2.49980e+02 -1.08261e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01053e+03 1.16917e+05 5.57084e+05 -4.05201e+06 1.03019e+04 Potential Pressure (bar) -3.33567e+06 -5.23021e+03 Step Time 2104 2104.00000 Step Time 2105 2105.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97703e+03 6.02322e+03 1.98565e+04 2.49953e+02 -1.08257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00973e+03 1.16918e+05 5.57100e+05 -4.05205e+06 1.03012e+04 Potential Pressure (bar) -3.33570e+06 -5.23060e+03 Step Time 2106 2106.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98872e+03 6.02291e+03 1.98565e+04 2.49968e+02 -1.08264e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01050e+03 1.16916e+05 5.57132e+05 -4.05211e+06 1.03006e+04 Potential Pressure (bar) -3.33572e+06 -5.22944e+03 Step Time 2107 2107.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98433e+03 6.02489e+03 1.98565e+04 2.49935e+02 -1.08258e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00937e+03 1.16918e+05 5.57150e+05 -4.05215e+06 1.02998e+04 Potential Pressure (bar) -3.33574e+06 -5.23012e+03 Step Time 2108 2108.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00353e+03 6.02462e+03 1.98566e+04 2.49965e+02 -1.08267e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.01055e+03 1.16915e+05 5.57179e+05 -4.05220e+06 1.02994e+04 Potential Pressure (bar) -3.33574e+06 -5.22870e+03 Step Time 2109 2109.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00007e+03 6.02823e+03 1.98565e+04 2.49915e+02 -1.08259e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00896e+03 1.16918e+05 5.57197e+05 -4.05225e+06 1.02985e+04 Potential Pressure (bar) -3.33577e+06 -5.22975e+03 Step Time 2110 2110.00000 Step Time 2111 2111.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97391e+03 6.02182e+03 1.98566e+04 2.49934e+02 -1.08264e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00981e+03 1.16916e+05 5.57210e+05 -4.05227e+06 1.02983e+04 Potential Pressure (bar) -3.33581e+06 -5.22860e+03 Step Time 2112 2112.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01579e+03 6.03121e+03 1.98566e+04 2.49889e+02 -1.08260e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00853e+03 1.16917e+05 5.57266e+05 -4.05239e+06 1.02966e+04 Potential Pressure (bar) -3.33583e+06 -5.22906e+03 Step Time 2113 2113.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98028e+03 6.02239e+03 1.98567e+04 2.49915e+02 -1.08268e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00976e+03 1.16915e+05 5.57281e+05 -4.05242e+06 1.02964e+04 Potential Pressure (bar) -3.33589e+06 -5.22745e+03 Step Time 2114 2114.00000 Step Time 2115 2115.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98075e+03 6.02439e+03 1.98566e+04 2.49886e+02 -1.08264e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00890e+03 1.16916e+05 5.57300e+05 -4.05246e+06 1.02956e+04 Potential Pressure (bar) -3.33591e+06 -5.22786e+03 Step Time 2116 2116.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98795e+03 6.02321e+03 1.98567e+04 2.49905e+02 -1.08271e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00976e+03 1.16914e+05 5.57326e+05 -4.05251e+06 1.02952e+04 Potential Pressure (bar) -3.33593e+06 -5.22673e+03 Step Time 2117 2117.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99034e+03 6.02650e+03 1.98567e+04 2.49868e+02 -1.08265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00856e+03 1.16916e+05 5.57346e+05 -4.05255e+06 1.02944e+04 Potential Pressure (bar) -3.33595e+06 -5.22748e+03 Step Time 2118 2118.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00357e+03 6.02498e+03 1.98568e+04 2.49896e+02 -1.08274e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00983e+03 1.16913e+05 5.57371e+05 -4.05260e+06 1.02940e+04 Potential Pressure (bar) -3.33595e+06 -5.22597e+03 Step Time 2119 2119.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01026e+03 6.03061e+03 1.98567e+04 2.49845e+02 -1.08265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00814e+03 1.16916e+05 5.57391e+05 -4.05264e+06 1.02931e+04 Potential Pressure (bar) -3.33597e+06 -5.22720e+03 Step Time 2120 2120.00000 Step Time 2121 2121.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97361e+03 6.02231e+03 1.98567e+04 2.49865e+02 -1.08272e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00904e+03 1.16914e+05 5.57403e+05 -4.05266e+06 1.02929e+04 Potential Pressure (bar) -3.33603e+06 -5.22592e+03 Step Time 2122 2122.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03010e+03 6.03410e+03 1.98567e+04 2.49812e+02 -1.08268e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00760e+03 1.16915e+05 5.57483e+05 -4.05284e+06 1.02905e+04 Potential Pressure (bar) -3.33605e+06 -5.22622e+03 Step Time 2123 2123.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97944e+03 6.02277e+03 1.98568e+04 2.49839e+02 -1.08277e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00892e+03 1.16913e+05 5.57498e+05 -4.05286e+06 1.02903e+04 Potential Pressure (bar) -3.33612e+06 -5.22446e+03 Step Time 2124 2124.00000 Step Time 2125 2125.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98571e+03 6.02580e+03 1.98568e+04 2.49808e+02 -1.08273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00800e+03 1.16914e+05 5.57520e+05 -4.05291e+06 1.02895e+04 Potential Pressure (bar) -3.33614e+06 -5.22493e+03 Step Time 2126 2126.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98718e+03 6.02359e+03 1.98569e+04 2.49830e+02 -1.08280e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00894e+03 1.16912e+05 5.57542e+05 -4.05295e+06 1.02891e+04 Potential Pressure (bar) -3.33616e+06 -5.22372e+03 Step Time 2127 2127.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99812e+03 6.02844e+03 1.98568e+04 2.49785e+02 -1.08273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00765e+03 1.16914e+05 5.57564e+05 -4.05300e+06 1.02882e+04 Potential Pressure (bar) -3.33618e+06 -5.22456e+03 Step Time 2128 2128.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00365e+03 6.02544e+03 1.98569e+04 2.49818e+02 -1.08282e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00903e+03 1.16911e+05 5.57587e+05 -4.05304e+06 1.02880e+04 Potential Pressure (bar) -3.33619e+06 -5.22296e+03 Step Time 2129 2129.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02297e+03 6.03352e+03 1.98568e+04 2.49766e+02 -1.08273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00721e+03 1.16914e+05 5.57608e+05 -4.05309e+06 1.02871e+04 Potential Pressure (bar) -3.33619e+06 -5.22433e+03 Step Time 2130 2130.00000 Step Time 2131 2131.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97364e+03 6.02289e+03 1.98569e+04 2.49789e+02 -1.08280e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00819e+03 1.16912e+05 5.57619e+05 -4.05310e+06 1.02868e+04 Potential Pressure (bar) -3.33626e+06 -5.22292e+03 Step Time 2132 2132.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04828e+03 6.03763e+03 1.98569e+04 2.49708e+02 -1.08278e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00642e+03 1.16913e+05 5.57758e+05 -4.05340e+06 1.02828e+04 Potential Pressure (bar) -3.33633e+06 -5.22258e+03 Step Time 2133 2133.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97869e+03 6.02329e+03 1.98570e+04 2.49742e+02 -1.08287e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00787e+03 1.16910e+05 5.57771e+05 -4.05341e+06 1.02827e+04 Potential Pressure (bar) -3.33642e+06 -5.22062e+03 Step Time 2134 2134.00000 Step Time 2135 2135.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99244e+03 6.02764e+03 1.98570e+04 2.49707e+02 -1.08283e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00687e+03 1.16911e+05 5.57798e+05 -4.05348e+06 1.02817e+04 Potential Pressure (bar) -3.33643e+06 -5.22109e+03 Step Time 2136 2136.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98652e+03 6.02410e+03 1.98570e+04 2.49732e+02 -1.08291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00790e+03 1.16909e+05 5.57817e+05 -4.05351e+06 1.02814e+04 Potential Pressure (bar) -3.33646e+06 -5.21988e+03 Step Time 2137 2137.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00820e+03 6.03094e+03 1.98570e+04 2.49686e+02 -1.08283e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00650e+03 1.16911e+05 5.57842e+05 -4.05357e+06 1.02805e+04 Potential Pressure (bar) -3.33647e+06 -5.22078e+03 Step Time 2138 2138.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00393e+03 6.02602e+03 1.98571e+04 2.49728e+02 -1.08294e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00802e+03 1.16908e+05 5.57862e+05 -4.05360e+06 1.02803e+04 Potential Pressure (bar) -3.33649e+06 -5.21910e+03 Step Time 2139 2139.00000 Step Time 2140 2140.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97586e+03 6.02436e+03 1.98570e+04 2.49693e+02 -1.08289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00700e+03 1.16909e+05 5.57874e+05 -4.05363e+06 1.02797e+04 Potential Pressure (bar) -3.33654e+06 -5.21956e+03 Step Time 2141 2141.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02077e+03 6.02824e+03 1.98572e+04 2.49705e+02 -1.08299e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00791e+03 1.16907e+05 5.57945e+05 -4.05377e+06 1.02781e+04 Potential Pressure (bar) -3.33656e+06 -5.21789e+03 Step Time 2142 2142.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98318e+03 6.02625e+03 1.98571e+04 2.49661e+02 -1.08291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00646e+03 1.16909e+05 5.57958e+05 -4.05380e+06 1.02772e+04 Potential Pressure (bar) -3.33662e+06 -5.21865e+03 Step Time 2143 2143.00000 Step Time 2144 2144.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98265e+03 6.02413e+03 1.98571e+04 2.49675e+02 -1.08297e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00721e+03 1.16907e+05 5.57980e+05 -4.05384e+06 1.02768e+04 Potential Pressure (bar) -3.33664e+06 -5.21763e+03 Step Time 2145 2145.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99160e+03 6.02809e+03 1.98571e+04 2.49642e+02 -1.08292e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00615e+03 1.16909e+05 5.58002e+05 -4.05390e+06 1.02760e+04 Potential Pressure (bar) -3.33666e+06 -5.21822e+03 Step Time 2146 2146.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99285e+03 6.02526e+03 1.98572e+04 2.49665e+02 -1.08300e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00726e+03 1.16906e+05 5.58023e+05 -4.05393e+06 1.02757e+04 Potential Pressure (bar) -3.33668e+06 -5.21691e+03 Step Time 2147 2147.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00824e+03 6.03154e+03 1.98571e+04 2.49619e+02 -1.08292e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00577e+03 1.16909e+05 5.58044e+05 -4.05398e+06 1.02748e+04 Potential Pressure (bar) -3.33669e+06 -5.21792e+03 Step Time 2148 2148.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01472e+03 6.02774e+03 1.98572e+04 2.49658e+02 -1.08303e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00740e+03 1.16905e+05 5.58067e+05 -4.05402e+06 1.02746e+04 Potential Pressure (bar) -3.33670e+06 -5.21617e+03 Step Time 2149 2149.00000 Step Time 2150 2150.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97555e+03 6.02465e+03 1.98572e+04 2.49624e+02 -1.08298e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00631e+03 1.16907e+05 5.58078e+05 -4.05405e+06 1.02740e+04 Potential Pressure (bar) -3.33676e+06 -5.21665e+03 Step Time 2151 2151.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03482e+03 6.03061e+03 1.98573e+04 2.49620e+02 -1.08308e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00714e+03 1.16904e+05 5.58189e+05 -4.05427e+06 1.02712e+04 Potential Pressure (bar) -3.33681e+06 -5.21443e+03 Step Time 2152 2152.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98258e+03 6.02651e+03 1.98572e+04 2.49575e+02 -1.08301e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00560e+03 1.16906e+05 5.58201e+05 -4.05430e+06 1.02705e+04 Potential Pressure (bar) -3.33689e+06 -5.21522e+03 Step Time 2153 2153.00000 Step Time 2154 2154.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98741e+03 6.02519e+03 1.98572e+04 2.49586e+02 -1.08307e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00641e+03 1.16904e+05 5.58226e+05 -4.05435e+06 1.02700e+04 Potential Pressure (bar) -3.33691e+06 -5.21411e+03 Step Time 2155 2155.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99104e+03 6.02843e+03 1.98572e+04 2.49554e+02 -1.08302e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00529e+03 1.16906e+05 5.58245e+05 -4.05440e+06 1.02692e+04 Potential Pressure (bar) -3.33693e+06 -5.21479e+03 Step Time 2156 2156.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00047e+03 6.02669e+03 1.98573e+04 2.49576e+02 -1.08310e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00647e+03 1.16903e+05 5.58269e+05 -4.05443e+06 1.02688e+04 Potential Pressure (bar) -3.33694e+06 -5.21336e+03 Step Time 2157 2157.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00845e+03 6.03207e+03 1.98572e+04 2.49533e+02 -1.08303e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00490e+03 1.16906e+05 5.58289e+05 -4.05449e+06 1.02680e+04 Potential Pressure (bar) -3.33696e+06 -5.21451e+03 Step Time 2158 2158.00000 Step Time 2159 2159.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97568e+03 6.02456e+03 1.98572e+04 2.49550e+02 -1.08308e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00574e+03 1.16904e+05 5.58301e+05 -4.05451e+06 1.02678e+04 Potential Pressure (bar) -3.33700e+06 -5.21334e+03 Step Time 2160 2160.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02562e+03 6.03512e+03 1.98572e+04 2.49488e+02 -1.08306e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00436e+03 1.16905e+05 5.58387e+05 -4.05469e+06 1.02652e+04 Potential Pressure (bar) -3.33705e+06 -5.21340e+03 Step Time 2161 2161.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98036e+03 6.02497e+03 1.98573e+04 2.49516e+02 -1.08314e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00559e+03 1.16903e+05 5.58400e+05 -4.05471e+06 1.02650e+04 Potential Pressure (bar) -3.33711e+06 -5.21177e+03 Step Time 2162 2162.00000 Step Time 2163 2163.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98694e+03 6.02785e+03 1.98572e+04 2.49488e+02 -1.08310e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00473e+03 1.16904e+05 5.58422e+05 -4.05476e+06 1.02642e+04 Potential Pressure (bar) -3.33713e+06 -5.21218e+03 Step Time 2164 2164.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98679e+03 6.02563e+03 1.98573e+04 2.49507e+02 -1.08316e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00559e+03 1.16902e+05 5.58444e+05 -4.05480e+06 1.02638e+04 Potential Pressure (bar) -3.33715e+06 -5.21104e+03 Step Time 2165 2165.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99787e+03 6.03019e+03 1.98572e+04 2.49469e+02 -1.08312e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00439e+03 1.16904e+05 5.58466e+05 -4.05485e+06 1.02631e+04 Potential Pressure (bar) -3.33716e+06 -5.21183e+03 Step Time 2166 2166.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00057e+03 6.02717e+03 1.98573e+04 2.49496e+02 -1.08319e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00568e+03 1.16901e+05 5.58488e+05 -4.05489e+06 1.02627e+04 Potential Pressure (bar) -3.33718e+06 -5.21032e+03 Step Time 2167 2167.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01961e+03 6.03465e+03 1.98572e+04 2.49447e+02 -1.08312e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00399e+03 1.16904e+05 5.58508e+05 -4.05495e+06 1.02618e+04 Potential Pressure (bar) -3.33719e+06 -5.21161e+03 Step Time 2168 2168.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03002e+03 6.03055e+03 1.98573e+04 2.49496e+02 -1.08323e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00587e+03 1.16900e+05 5.58531e+05 -4.05498e+06 1.02617e+04 Potential Pressure (bar) -3.33719e+06 -5.20960e+03 Step Time 2169 2169.00000 Step Time 2170 2170.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97693e+03 6.02594e+03 1.98573e+04 2.49455e+02 -1.08317e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00462e+03 1.16902e+05 5.58540e+05 -4.05501e+06 1.02610e+04 Potential Pressure (bar) -3.33727e+06 -5.21020e+03 Step Time 2171 2171.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05721e+03 6.03454e+03 1.98573e+04 2.49457e+02 -1.08330e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00563e+03 1.16898e+05 5.58655e+05 -4.05523e+06 1.02582e+04 Potential Pressure (bar) -3.33730e+06 -5.20786e+03 Step Time 2172 2172.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98594e+03 6.02823e+03 1.98573e+04 2.49403e+02 -1.08322e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00387e+03 1.16901e+05 5.58666e+05 -4.05527e+06 1.02574e+04 Potential Pressure (bar) -3.33740e+06 -5.20875e+03 Step Time 2173 2173.00000 Step Time 2174 2174.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99327e+03 6.02692e+03 1.98573e+04 2.49417e+02 -1.08328e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00481e+03 1.16899e+05 5.58691e+05 -4.05531e+06 1.02569e+04 Potential Pressure (bar) -3.33742e+06 -5.20754e+03 Step Time 2175 2175.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99692e+03 6.03065e+03 1.98572e+04 2.49383e+02 -1.08323e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00353e+03 1.16901e+05 5.58710e+05 -4.05536e+06 1.02562e+04 Potential Pressure (bar) -3.33744e+06 -5.20839e+03 Step Time 2176 2176.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01090e+03 6.02897e+03 1.98573e+04 2.49408e+02 -1.08331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00491e+03 1.16898e+05 5.58734e+05 -4.05540e+06 1.02558e+04 Potential Pressure (bar) -3.33744e+06 -5.20680e+03 Step Time 2177 2177.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01966e+03 6.03535e+03 1.98572e+04 2.49362e+02 -1.08324e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00312e+03 1.16901e+05 5.58753e+05 -4.05545e+06 1.02550e+04 Potential Pressure (bar) -3.33746e+06 -5.20817e+03 Step Time 2178 2178.00000 Step Time 2179 2179.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97716e+03 6.02580e+03 1.98573e+04 2.49380e+02 -1.08329e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00409e+03 1.16899e+05 5.58764e+05 -4.05547e+06 1.02548e+04 Potential Pressure (bar) -3.33752e+06 -5.20679e+03 Step Time 2180 2180.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04213e+03 6.03920e+03 1.98572e+04 2.49320e+02 -1.08328e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00256e+03 1.16900e+05 5.58847e+05 -4.05565e+06 1.02523e+04 Potential Pressure (bar) -3.33754e+06 -5.20721e+03 Step Time 2181 2181.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98358e+03 6.02637e+03 1.98572e+04 2.49349e+02 -1.08335e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00398e+03 1.16897e+05 5.58860e+05 -4.05566e+06 1.02521e+04 Potential Pressure (bar) -3.33762e+06 -5.20527e+03 Step Time 2182 2182.00000 Step Time 2183 2183.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99135e+03 6.02975e+03 1.98572e+04 2.49318e+02 -1.08332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00302e+03 1.16899e+05 5.58881e+05 -4.05571e+06 1.02512e+04 Potential Pressure (bar) -3.33763e+06 -5.20584e+03 Step Time 2184 2184.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99228e+03 6.02730e+03 1.98572e+04 2.49340e+02 -1.08338e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00402e+03 1.16897e+05 5.58903e+05 -4.05575e+06 1.02509e+04 Potential Pressure (bar) -3.33765e+06 -5.20458e+03 Step Time 2185 2185.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00560e+03 6.03273e+03 1.98572e+04 2.49298e+02 -1.08333e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00266e+03 1.16899e+05 5.58924e+05 -4.05580e+06 1.02501e+04 Potential Pressure (bar) -3.33766e+06 -5.20553e+03 Step Time 2186 2186.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01089e+03 6.02943e+03 1.98572e+04 2.49332e+02 -1.08342e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00416e+03 1.16896e+05 5.58945e+05 -4.05583e+06 1.02498e+04 Potential Pressure (bar) -3.33768e+06 -5.20385e+03 Step Time 2187 2187.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03403e+03 6.03854e+03 1.98571e+04 2.49278e+02 -1.08333e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00222e+03 1.16899e+05 5.58966e+05 -4.05589e+06 1.02489e+04 Potential Pressure (bar) -3.33768e+06 -5.20538e+03 Step Time 2188 2188.00000 Step Time 2189 2189.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97718e+03 6.02647e+03 1.98572e+04 2.49300e+02 -1.08339e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00326e+03 1.16896e+05 5.58977e+05 -4.05590e+06 1.02486e+04 Potential Pressure (bar) -3.33775e+06 -5.20387e+03 Step Time 2190 2190.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06322e+03 6.04299e+03 1.98571e+04 2.49209e+02 -1.08341e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00144e+03 1.16897e+05 5.59123e+05 -4.05621e+06 1.02445e+04 Potential Pressure (bar) -3.33782e+06 -5.20362e+03 Step Time 2191 2191.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98269e+03 6.02696e+03 1.98571e+04 2.49245e+02 -1.08350e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00296e+03 1.16894e+05 5.59135e+05 -4.05623e+06 1.02444e+04 Potential Pressure (bar) -3.33792e+06 -5.20151e+03 Step Time 2192 2192.00000 Step Time 2193 2193.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99905e+03 6.03180e+03 1.98571e+04 2.49206e+02 -1.08345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00191e+03 1.16896e+05 5.59161e+05 -4.05629e+06 1.02434e+04 Potential Pressure (bar) -3.33793e+06 -5.20206e+03 Step Time 2194 2194.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99150e+03 6.02792e+03 1.98571e+04 2.49233e+02 -1.08353e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00301e+03 1.16893e+05 5.59180e+05 -4.05632e+06 1.02432e+04 Potential Pressure (bar) -3.33796e+06 -5.20076e+03 Step Time 2195 2195.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01713e+03 6.03555e+03 1.98570e+04 2.49182e+02 -1.08346e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00154e+03 1.16896e+05 5.59204e+05 -4.05638e+06 1.02421e+04 Potential Pressure (bar) -3.33796e+06 -5.20178e+03 Step Time 2196 2196.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01125e+03 6.03014e+03 1.98571e+04 2.49229e+02 -1.08357e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00316e+03 1.16892e+05 5.59224e+05 -4.05640e+06 1.02420e+04 Potential Pressure (bar) -3.33798e+06 -5.20001e+03 Step Time 2197 2197.00000 Step Time 2198 2198.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97979e+03 6.02812e+03 1.98570e+04 2.49192e+02 -1.08352e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00208e+03 1.16894e+05 5.59234e+05 -4.05643e+06 1.02414e+04 Potential Pressure (bar) -3.33803e+06 -5.20053e+03 Step Time 2199 2199.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03039e+03 6.03265e+03 1.98570e+04 2.49202e+02 -1.08362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00308e+03 1.16891e+05 5.59301e+05 -4.05657e+06 1.02399e+04 Potential Pressure (bar) -3.33804e+06 -5.19888e+03 Step Time 2200 2200.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98824e+03 6.03023e+03 1.98569e+04 2.49155e+02 -1.08355e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00156e+03 1.16894e+05 5.59313e+05 -4.05660e+06 1.02391e+04 Potential Pressure (bar) -3.33811e+06 -5.19971e+03 Step Time 2201 2201.00000 Step Time 2202 2202.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98714e+03 6.02791e+03 1.98570e+04 2.49170e+02 -1.08360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00237e+03 1.16892e+05 5.59334e+05 -4.05664e+06 1.02387e+04 Potential Pressure (bar) -3.33813e+06 -5.19865e+03 Step Time 2203 2203.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99794e+03 6.03230e+03 1.98569e+04 2.49134e+02 -1.08356e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00125e+03 1.16893e+05 5.59355e+05 -4.05669e+06 1.02379e+04 Potential Pressure (bar) -3.33815e+06 -5.19931e+03 Step Time 2204 2204.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99868e+03 6.02920e+03 1.98569e+04 2.49158e+02 -1.08364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00244e+03 1.16891e+05 5.59376e+05 -4.05672e+06 1.02376e+04 Potential Pressure (bar) -3.33817e+06 -5.19793e+03 Step Time 2205 2205.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01705e+03 6.03623e+03 1.98568e+04 2.49110e+02 -1.08357e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00087e+03 1.16893e+05 5.59396e+05 -4.05678e+06 1.02367e+04 Potential Pressure (bar) -3.33817e+06 -5.19907e+03 Step Time 2206 2206.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02352e+03 6.03206e+03 1.98569e+04 2.49153e+02 -1.08367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00262e+03 1.16890e+05 5.59418e+05 -4.05681e+06 1.02366e+04 Potential Pressure (bar) -3.33818e+06 -5.19722e+03 Step Time 2207 2207.00000 Step Time 2208 2208.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97928e+03 6.02841e+03 1.98568e+04 2.49116e+02 -1.08362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00145e+03 1.16892e+05 5.59428e+05 -4.05684e+06 1.02359e+04 Potential Pressure (bar) -3.33825e+06 -5.19774e+03 Step Time 2209 2209.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04656e+03 6.03528e+03 1.98568e+04 2.49119e+02 -1.08374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00244e+03 1.16888e+05 5.59529e+05 -4.05703e+06 1.02334e+04 Potential Pressure (bar) -3.33828e+06 -5.19566e+03 Step Time 2210 2210.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98738e+03 6.03050e+03 1.98567e+04 2.49067e+02 -1.08368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00079e+03 1.16891e+05 5.59540e+05 -4.05707e+06 1.02327e+04 Potential Pressure (bar) -3.33837e+06 -5.19652e+03 Step Time 2211 2211.00000 Step Time 2212 2212.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99249e+03 6.02904e+03 1.98567e+04 2.49079e+02 -1.08373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00165e+03 1.16889e+05 5.59564e+05 -4.05712e+06 1.02322e+04 Potential Pressure (bar) -3.33839e+06 -5.19535e+03 Step Time 2213 2213.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99713e+03 6.03264e+03 1.98566e+04 2.49045e+02 -1.08369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00047e+03 1.16891e+05 5.59583e+05 -4.05716e+06 1.02315e+04 Potential Pressure (bar) -3.33841e+06 -5.19616e+03 Step Time 2214 2214.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00733e+03 6.03077e+03 1.98567e+04 2.49068e+02 -1.08376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00175e+03 1.16888e+05 5.59606e+05 -4.05720e+06 1.02312e+04 Potential Pressure (bar) -3.33841e+06 -5.19467e+03 Step Time 2215 2215.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01713e+03 6.03682e+03 1.98566e+04 2.49020e+02 -1.08370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00007e+03 1.16891e+05 5.59625e+05 -4.05725e+06 1.02304e+04 Potential Pressure (bar) -3.33843e+06 -5.19594e+03 Step Time 2216 2216.00000 Step Time 2217 2217.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.97920e+03 6.02828e+03 1.98566e+04 2.49037e+02 -1.08375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00098e+03 1.16889e+05 5.59636e+05 -4.05727e+06 1.02302e+04 Potential Pressure (bar) -3.33848e+06 -5.19462e+03 Step Time 2218 2218.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03687e+03 6.04024e+03 1.98564e+04 2.48977e+02 -1.08375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99954e+03 1.16890e+05 5.59723e+05 -4.05746e+06 1.02276e+04 Potential Pressure (bar) -3.33852e+06 -5.19485e+03 Step Time 2219 2219.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98443e+03 6.02875e+03 1.98565e+04 2.49003e+02 -1.08382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00085e+03 1.16887e+05 5.59737e+05 -4.05748e+06 1.02274e+04 Potential Pressure (bar) -3.33859e+06 -5.19306e+03 Step Time 2220 2220.00000 Step Time 2221 2221.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99232e+03 6.03196e+03 1.98564e+04 2.48972e+02 -1.08379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99994e+03 1.16889e+05 5.59758e+05 -4.05753e+06 1.02266e+04 Potential Pressure (bar) -3.33861e+06 -5.19354e+03 Step Time 2222 2222.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99169e+03 6.02952e+03 1.98564e+04 2.48993e+02 -1.08386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00088e+03 1.16886e+05 5.59779e+05 -4.05756e+06 1.02263e+04 Potential Pressure (bar) -3.33863e+06 -5.19237e+03 Step Time 2223 2223.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00487e+03 6.03462e+03 1.98563e+04 2.48948e+02 -1.08381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99961e+03 1.16888e+05 5.59800e+05 -4.05761e+06 1.02255e+04 Potential Pressure (bar) -3.33864e+06 -5.19323e+03 Step Time 2224 2224.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00738e+03 6.03129e+03 1.98563e+04 2.48983e+02 -1.08389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00099e+03 1.16885e+05 5.59820e+05 -4.05765e+06 1.02252e+04 Potential Pressure (bar) -3.33865e+06 -5.19167e+03 Step Time 2225 2225.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02983e+03 6.03971e+03 1.98562e+04 2.48928e+02 -1.08382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99921e+03 1.16888e+05 5.59841e+05 -4.05770e+06 1.02243e+04 Potential Pressure (bar) -3.33866e+06 -5.19307e+03 Step Time 2226 2226.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04102e+03 6.03519e+03 1.98563e+04 2.48979e+02 -1.08394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00123e+03 1.16884e+05 5.59863e+05 -4.05773e+06 1.02242e+04 Potential Pressure (bar) -3.33866e+06 -5.19099e+03 Step Time 2227 2227.00000 Step Time 2228 2228.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98062e+03 6.02978e+03 1.98562e+04 2.48936e+02 -1.08388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99990e+03 1.16886e+05 5.59872e+05 -4.05776e+06 1.02235e+04 Potential Pressure (bar) -3.33875e+06 -5.19158e+03 Step Time 2229 2229.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07208e+03 6.03976e+03 1.98561e+04 2.48932e+02 -1.08403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00106e+03 1.16882e+05 5.59978e+05 -4.05797e+06 1.02210e+04 Potential Pressure (bar) -3.33876e+06 -5.18939e+03 Step Time 2230 2230.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99100e+03 6.03232e+03 1.98560e+04 2.48878e+02 -1.08394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99917e+03 1.16886e+05 5.59988e+05 -4.05801e+06 1.02201e+04 Potential Pressure (bar) -3.33887e+06 -5.19034e+03 Step Time 2231 2231.00000 Step Time 2232 2232.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99900e+03 6.03096e+03 1.98560e+04 2.48898e+02 -1.08401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00019e+03 1.16883e+05 5.60012e+05 -4.05805e+06 1.02197e+04 Potential Pressure (bar) -3.33888e+06 -5.18905e+03 Step Time 2233 2233.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00363e+03 6.03505e+03 1.98559e+04 2.48857e+02 -1.08396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99883e+03 1.16886e+05 5.60030e+05 -4.05809e+06 1.02190e+04 Potential Pressure (bar) -3.33890e+06 -5.19001e+03 Step Time 2234 2234.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01913e+03 6.03332e+03 1.98559e+04 2.48887e+02 -1.08405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 5.00032e+03 1.16882e+05 5.60053e+05 -4.05813e+06 1.02187e+04 Potential Pressure (bar) -3.33890e+06 -5.18836e+03 Step Time 2235 2235.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02972e+03 6.04042e+03 1.98558e+04 2.48831e+02 -1.08397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99840e+03 1.16886e+05 5.60072e+05 -4.05818e+06 1.02178e+04 Potential Pressure (bar) -3.33892e+06 -5.18987e+03 Step Time 2236 2236.00000 Step Time 2237 2237.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98067e+03 6.02958e+03 1.98558e+04 2.48852e+02 -1.08403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99944e+03 1.16883e+05 5.60083e+05 -4.05820e+06 1.02176e+04 Potential Pressure (bar) -3.33898e+06 -5.18837e+03 Step Time 2238 2238.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05552e+03 6.04479e+03 1.98556e+04 2.48791e+02 -1.08402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99787e+03 1.16885e+05 5.60164e+05 -4.05837e+06 1.02151e+04 Potential Pressure (bar) -3.33899e+06 -5.18897e+03 Step Time 2239 2239.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98787e+03 6.03025e+03 1.98556e+04 2.48823e+02 -1.08411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99938e+03 1.16882e+05 5.60178e+05 -4.05839e+06 1.02150e+04 Potential Pressure (bar) -3.33908e+06 -5.18688e+03 Step Time 2240 2240.00000 Step Time 2241 2241.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99711e+03 6.03399e+03 1.98555e+04 2.48785e+02 -1.08407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99835e+03 1.16883e+05 5.60199e+05 -4.05844e+06 1.02142e+04 Potential Pressure (bar) -3.33910e+06 -5.18750e+03 Step Time 2242 2242.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99779e+03 6.03133e+03 1.98555e+04 2.48811e+02 -1.08415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99944e+03 1.16881e+05 5.60218e+05 -4.05848e+06 1.02138e+04 Potential Pressure (bar) -3.33911e+06 -5.18618e+03 Step Time 2243 2243.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01345e+03 6.03739e+03 1.98554e+04 2.48762e+02 -1.08409e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99800e+03 1.16883e+05 5.60240e+05 -4.05853e+06 1.02131e+04 Potential Pressure (bar) -3.33912e+06 -5.18724e+03 Step Time 2244 2244.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01906e+03 6.03378e+03 1.98555e+04 2.48802e+02 -1.08419e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99960e+03 1.16880e+05 5.60261e+05 -4.05856e+06 1.02129e+04 Potential Pressure (bar) -3.33913e+06 -5.18546e+03 Step Time 2245 2245.00000 Step Time 2246 2246.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98128e+03 6.03079e+03 1.98554e+04 2.48765e+02 -1.08415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99853e+03 1.16882e+05 5.60270e+05 -4.05859e+06 1.02123e+04 Potential Pressure (bar) -3.33919e+06 -5.18599e+03 Step Time 2247 2247.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03906e+03 6.03670e+03 1.98552e+04 2.48769e+02 -1.08428e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99940e+03 1.16878e+05 5.60372e+05 -4.05879e+06 1.02098e+04 Potential Pressure (bar) -3.33924e+06 -5.18391e+03 Step Time 2248 2248.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98824e+03 6.03266e+03 1.98551e+04 2.48711e+02 -1.08421e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99790e+03 1.16881e+05 5.60383e+05 -4.05883e+06 1.02091e+04 Potential Pressure (bar) -3.33932e+06 -5.18472e+03 Step Time 2249 2249.00000 Step Time 2250 2250.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99267e+03 6.03133e+03 1.98551e+04 2.48722e+02 -1.08427e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99870e+03 1.16879e+05 5.60406e+05 -4.05887e+06 1.02086e+04 Potential Pressure (bar) -3.33933e+06 -5.18363e+03 Step Time 2251 2251.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99659e+03 6.03454e+03 1.98550e+04 2.48688e+02 -1.08423e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99759e+03 1.16881e+05 5.60425e+05 -4.05891e+06 1.02080e+04 Potential Pressure (bar) -3.33935e+06 -5.18438e+03 Step Time 2252 2252.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00543e+03 6.03280e+03 1.98550e+04 2.48711e+02 -1.08430e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99877e+03 1.16878e+05 5.60448e+05 -4.05895e+06 1.02076e+04 Potential Pressure (bar) -3.33936e+06 -5.18295e+03 Step Time 2253 2253.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01375e+03 6.03814e+03 1.98549e+04 2.48668e+02 -1.08425e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99722e+03 1.16881e+05 5.60466e+05 -4.05900e+06 1.02068e+04 Potential Pressure (bar) -3.33938e+06 -5.18412e+03 Step Time 2254 2254.00000 Step Time 2255 2255.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98128e+03 6.03075e+03 1.98549e+04 2.48685e+02 -1.08430e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99806e+03 1.16879e+05 5.60477e+05 -4.05902e+06 1.02065e+04 Potential Pressure (bar) -3.33942e+06 -5.18296e+03 Step Time 2256 2256.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03067e+03 6.04112e+03 1.98546e+04 2.48620e+02 -1.08432e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99675e+03 1.16880e+05 5.60561e+05 -4.05919e+06 1.02042e+04 Potential Pressure (bar) -3.33946e+06 -5.18308e+03 Step Time 2257 2257.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98581e+03 6.03114e+03 1.98546e+04 2.48646e+02 -1.08439e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99795e+03 1.16877e+05 5.60573e+05 -4.05921e+06 1.02040e+04 Potential Pressure (bar) -3.33953e+06 -5.18140e+03 Step Time 2258 2258.00000 Step Time 2259 2259.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99253e+03 6.03402e+03 1.98545e+04 2.48614e+02 -1.08436e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99709e+03 1.16878e+05 5.60594e+05 -4.05926e+06 1.02032e+04 Potential Pressure (bar) -3.33955e+06 -5.18186e+03 Step Time 2260 2260.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99205e+03 6.03182e+03 1.98545e+04 2.48633e+02 -1.08442e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99797e+03 1.16876e+05 5.60614e+05 -4.05930e+06 1.02029e+04 Potential Pressure (bar) -3.33957e+06 -5.18075e+03 Step Time 2261 2261.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00330e+03 6.03633e+03 1.98544e+04 2.48591e+02 -1.08438e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99679e+03 1.16878e+05 5.60634e+05 -4.05935e+06 1.02021e+04 Potential Pressure (bar) -3.33958e+06 -5.18154e+03 Step Time 2262 2262.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00549e+03 6.03333e+03 1.98544e+04 2.48623e+02 -1.08447e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99806e+03 1.16876e+05 5.60655e+05 -4.05938e+06 1.02018e+04 Potential Pressure (bar) -3.33959e+06 -5.18003e+03 Step Time 2263 2263.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02473e+03 6.04073e+03 1.98543e+04 2.48571e+02 -1.08440e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99640e+03 1.16878e+05 5.60675e+05 -4.05943e+06 1.02009e+04 Potential Pressure (bar) -3.33960e+06 -5.18135e+03 Step Time 2264 2264.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03430e+03 6.03665e+03 1.98543e+04 2.48616e+02 -1.08452e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99828e+03 1.16874e+05 5.60697e+05 -4.05946e+06 1.02007e+04 Potential Pressure (bar) -3.33961e+06 -5.17934e+03 Step Time 2265 2265.00000 Step Time 2266 2266.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98255e+03 6.03216e+03 1.98542e+04 2.48573e+02 -1.08446e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99704e+03 1.16876e+05 5.60706e+05 -4.05949e+06 1.02002e+04 Potential Pressure (bar) -3.33968e+06 -5.17995e+03 Step Time 2267 2267.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06101e+03 6.04046e+03 1.98540e+04 2.48578e+02 -1.08461e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99809e+03 1.16873e+05 5.60812e+05 -4.05970e+06 1.01976e+04 Potential Pressure (bar) -3.33970e+06 -5.17773e+03 Step Time 2268 2268.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99146e+03 6.03442e+03 1.98539e+04 2.48520e+02 -1.08454e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99636e+03 1.16876e+05 5.60822e+05 -4.05974e+06 1.01969e+04 Potential Pressure (bar) -3.33980e+06 -5.17866e+03 Step Time 2269 2269.00000 Step Time 2270 2270.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99841e+03 6.03309e+03 1.98539e+04 2.48533e+02 -1.08460e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99730e+03 1.16873e+05 5.60846e+05 -4.05978e+06 1.01965e+04 Potential Pressure (bar) -3.33982e+06 -5.17747e+03 Step Time 2271 2271.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00230e+03 6.03682e+03 1.98537e+04 2.48494e+02 -1.08456e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99604e+03 1.16875e+05 5.60864e+05 -4.05982e+06 1.01958e+04 Potential Pressure (bar) -3.33983e+06 -5.17835e+03 Step Time 2272 2272.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01566e+03 6.03510e+03 1.98538e+04 2.48521e+02 -1.08465e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99742e+03 1.16872e+05 5.60886e+05 -4.05986e+06 1.01954e+04 Potential Pressure (bar) -3.33984e+06 -5.17677e+03 Step Time 2273 2273.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02476e+03 6.04147e+03 1.98536e+04 2.48472e+02 -1.08459e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99564e+03 1.16875e+05 5.60904e+05 -4.05991e+06 1.01946e+04 Potential Pressure (bar) -3.33986e+06 -5.17818e+03 Step Time 2274 2274.00000 Step Time 2275 2275.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98267e+03 6.03203e+03 1.98536e+04 2.48491e+02 -1.08464e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99661e+03 1.16873e+05 5.60915e+05 -4.05993e+06 1.01944e+04 Potential Pressure (bar) -3.33992e+06 -5.17679e+03 Step Time 2276 2276.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04693e+03 6.04523e+03 1.98533e+04 2.48422e+02 -1.08464e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99515e+03 1.16875e+05 5.60994e+05 -4.06009e+06 1.01921e+04 Potential Pressure (bar) -3.33993e+06 -5.17725e+03 Step Time 2277 2277.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98889e+03 6.03258e+03 1.98533e+04 2.48453e+02 -1.08473e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99655e+03 1.16872e+05 5.61007e+05 -4.06011e+06 1.01920e+04 Potential Pressure (bar) -3.34001e+06 -5.17534e+03 Step Time 2278 2278.00000 Step Time 2279 2279.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99677e+03 6.03594e+03 1.98532e+04 2.48420e+02 -1.08470e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99560e+03 1.16873e+05 5.61028e+05 -4.06016e+06 1.01912e+04 Potential Pressure (bar) -3.34003e+06 -5.17591e+03 Step Time 2280 2280.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99741e+03 6.03348e+03 1.98532e+04 2.48446e+02 -1.08477e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99661e+03 1.16871e+05 5.61048e+05 -4.06020e+06 1.01909e+04 Potential Pressure (bar) -3.34004e+06 -5.17462e+03 Step Time 2281 2281.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01080e+03 6.03891e+03 1.98531e+04 2.48399e+02 -1.08473e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99526e+03 1.16873e+05 5.61068e+05 -4.06025e+06 1.01901e+04 Potential Pressure (bar) -3.34006e+06 -5.17561e+03 Step Time 2282 2282.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01566e+03 6.03555e+03 1.98531e+04 2.48435e+02 -1.08482e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99675e+03 1.16870e+05 5.61088e+05 -4.06028e+06 1.01899e+04 Potential Pressure (bar) -3.34007e+06 -5.17397e+03 Step Time 2283 2283.00000 Step Time 2284 2284.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98325e+03 6.03315e+03 1.98530e+04 2.48400e+02 -1.08478e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99576e+03 1.16872e+05 5.61097e+05 -4.06031e+06 1.01894e+04 Potential Pressure (bar) -3.34012e+06 -5.17445e+03 Step Time 2285 2285.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03278e+03 6.03804e+03 1.98528e+04 2.48390e+02 -1.08491e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99657e+03 1.16868e+05 5.61199e+05 -4.06051e+06 1.01869e+04 Potential Pressure (bar) -3.34017e+06 -5.17237e+03 Step Time 2286 2286.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98923e+03 6.03482e+03 1.98527e+04 2.48345e+02 -1.08487e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99516e+03 1.16871e+05 5.61210e+05 -4.06054e+06 1.01863e+04 Potential Pressure (bar) -3.34024e+06 -5.17315e+03 Step Time 2287 2287.00000 Step Time 2288 2288.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99308e+03 6.03356e+03 1.98526e+04 2.48358e+02 -1.08493e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99589e+03 1.16869e+05 5.61233e+05 -4.06058e+06 1.01858e+04 Potential Pressure (bar) -3.34026e+06 -5.17210e+03 Step Time 2289 2289.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99642e+03 6.03647e+03 1.98525e+04 2.48322e+02 -1.08490e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99487e+03 1.16871e+05 5.61251e+05 -4.06063e+06 1.01851e+04 Potential Pressure (bar) -3.34028e+06 -5.17277e+03 Step Time 2290 2290.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00403e+03 6.03481e+03 1.98525e+04 2.48343e+02 -1.08496e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99597e+03 1.16868e+05 5.61274e+05 -4.06067e+06 1.01847e+04 Potential Pressure (bar) -3.34029e+06 -5.17142e+03 Step Time 2291 2291.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01118e+03 6.03958e+03 1.98524e+04 2.48299e+02 -1.08492e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99452e+03 1.16870e+05 5.61292e+05 -4.06072e+06 1.01840e+04 Potential Pressure (bar) -3.34031e+06 -5.17249e+03 Step Time 2292 2292.00000 Step Time 2293 2293.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98331e+03 6.03313e+03 1.98524e+04 2.48315e+02 -1.08497e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99530e+03 1.16869e+05 5.61302e+05 -4.06073e+06 1.01837e+04 Potential Pressure (bar) -3.34035e+06 -5.17139e+03 Step Time 2294 2294.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02569e+03 6.04225e+03 1.98521e+04 2.48254e+02 -1.08499e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99407e+03 1.16870e+05 5.61383e+05 -4.06091e+06 1.01815e+04 Potential Pressure (bar) -3.34039e+06 -5.17147e+03 Step Time 2295 2295.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98722e+03 6.03347e+03 1.98521e+04 2.48278e+02 -1.08506e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99520e+03 1.16867e+05 5.61396e+05 -4.06092e+06 1.01813e+04 Potential Pressure (bar) -3.34045e+06 -5.16995e+03 Step Time 2296 2296.00000 Step Time 2297 2297.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99297e+03 6.03603e+03 1.98520e+04 2.48250e+02 -1.08504e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99442e+03 1.16868e+05 5.61416e+05 -4.06097e+06 1.01806e+04 Potential Pressure (bar) -3.34047e+06 -5.17035e+03 Step Time 2298 2298.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99260e+03 6.03402e+03 1.98520e+04 2.48264e+02 -1.08510e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99522e+03 1.16866e+05 5.61436e+05 -4.06100e+06 1.01803e+04 Potential Pressure (bar) -3.34048e+06 -5.16929e+03 Step Time 2299 2299.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00224e+03 6.03807e+03 1.98518e+04 2.48228e+02 -1.08507e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99412e+03 1.16868e+05 5.61456e+05 -4.06105e+06 1.01796e+04 Potential Pressure (bar) -3.34050e+06 -5.17000e+03 Step Time 2300 2300.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00414e+03 6.03529e+03 1.98519e+04 2.48256e+02 -1.08515e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99532e+03 1.16866e+05 5.61476e+05 -4.06109e+06 1.01793e+04 Potential Pressure (bar) -3.34052e+06 -5.16860e+03 Step Time 2301 2301.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02067e+03 6.04188e+03 1.98517e+04 2.48204e+02 -1.08509e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99376e+03 1.16868e+05 5.61496e+05 -4.06113e+06 1.01785e+04 Potential Pressure (bar) -3.34052e+06 -5.16978e+03 Step Time 2302 2302.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02883e+03 6.03812e+03 1.98517e+04 2.48247e+02 -1.08520e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99551e+03 1.16864e+05 5.61516e+05 -4.06116e+06 1.01782e+04 Potential Pressure (bar) -3.34053e+06 -5.16791e+03 Step Time 2303 2303.00000 Step Time 2304 2304.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98445e+03 6.03442e+03 1.98516e+04 2.48206e+02 -1.08515e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99437e+03 1.16866e+05 5.61526e+05 -4.06119e+06 1.01777e+04 Potential Pressure (bar) -3.34059e+06 -5.16849e+03 Step Time 2305 2305.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05189e+03 6.04144e+03 1.98514e+04 2.48207e+02 -1.08531e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99531e+03 1.16863e+05 5.61631e+05 -4.06140e+06 1.01752e+04 Potential Pressure (bar) -3.34063e+06 -5.16629e+03 Step Time 2306 2306.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99217e+03 6.03640e+03 1.98512e+04 2.48155e+02 -1.08525e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99371e+03 1.16866e+05 5.61642e+05 -4.06143e+06 1.01746e+04 Potential Pressure (bar) -3.34072e+06 -5.16716e+03 Step Time 2307 2307.00000 Step Time 2308 2308.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99810e+03 6.03515e+03 1.98512e+04 2.48165e+02 -1.08531e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99458e+03 1.16863e+05 5.61665e+05 -4.06147e+06 1.01741e+04 Potential Pressure (bar) -3.34073e+06 -5.16600e+03 Step Time 2309 2309.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00148e+03 6.03849e+03 1.98511e+04 2.48128e+02 -1.08528e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99342e+03 1.16865e+05 5.61682e+05 -4.06152e+06 1.01735e+04 Potential Pressure (bar) -3.34075e+06 -5.16681e+03 Step Time 2310 2310.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01294e+03 6.03684e+03 1.98511e+04 2.48151e+02 -1.08535e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99470e+03 1.16862e+05 5.61704e+05 -4.06155e+06 1.01731e+04 Potential Pressure (bar) -3.34076e+06 -5.16531e+03 Step Time 2311 2311.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02081e+03 6.04251e+03 1.98510e+04 2.48108e+02 -1.08530e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99304e+03 1.16865e+05 5.61722e+05 -4.06160e+06 1.01724e+04 Potential Pressure (bar) -3.34077e+06 -5.16662e+03 Step Time 2312 2312.00000 Step Time 2313 2313.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98463e+03 6.03429e+03 1.98510e+04 2.48125e+02 -1.08536e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99394e+03 1.16863e+05 5.61733e+05 -4.06162e+06 1.01722e+04 Potential Pressure (bar) -3.34082e+06 -5.16534e+03 Step Time 2314 2314.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03989e+03 6.04579e+03 1.98507e+04 2.48061e+02 -1.08537e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99258e+03 1.16865e+05 5.61810e+05 -4.06178e+06 1.01700e+04 Potential Pressure (bar) -3.34085e+06 -5.16568e+03 Step Time 2315 2315.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99001e+03 6.03473e+03 1.98507e+04 2.48087e+02 -1.08545e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99389e+03 1.16862e+05 5.61823e+05 -4.06180e+06 1.01698e+04 Potential Pressure (bar) -3.34092e+06 -5.16391e+03 Step Time 2316 2316.00000 Step Time 2317 2317.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99680e+03 6.03774e+03 1.98506e+04 2.48058e+02 -1.08542e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99300e+03 1.16863e+05 5.61843e+05 -4.06185e+06 1.01691e+04 Potential Pressure (bar) -3.34093e+06 -5.16442e+03 Step Time 2318 2318.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99731e+03 6.03550e+03 1.98506e+04 2.48077e+02 -1.08550e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99393e+03 1.16861e+05 5.61862e+05 -4.06188e+06 1.01688e+04 Potential Pressure (bar) -3.34095e+06 -5.16325e+03 Step Time 2319 2319.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00889e+03 6.04030e+03 1.98505e+04 2.48038e+02 -1.08545e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99269e+03 1.16863e+05 5.61882e+05 -4.06193e+06 1.01681e+04 Potential Pressure (bar) -3.34096e+06 -5.16412e+03 Step Time 2320 2320.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01298e+03 6.03726e+03 1.98505e+04 2.48071e+02 -1.08554e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99406e+03 1.16860e+05 5.61903e+05 -4.06196e+06 1.01679e+04 Potential Pressure (bar) -3.34098e+06 -5.16258e+03 Step Time 2321 2321.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03307e+03 6.04523e+03 1.98503e+04 2.48018e+02 -1.08548e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99230e+03 1.16863e+05 5.61922e+05 -4.06201e+06 1.01671e+04 Potential Pressure (bar) -3.34098e+06 -5.16399e+03 Step Time 2322 2322.00000 Step Time 2323 2323.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98468e+03 6.03487e+03 1.98503e+04 2.48040e+02 -1.08554e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99327e+03 1.16861e+05 5.61932e+05 -4.06203e+06 1.01668e+04 Potential Pressure (bar) -3.34104e+06 -5.16258e+03 Step Time 2324 2324.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05780e+03 6.04912e+03 1.98498e+04 2.47941e+02 -1.08559e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99159e+03 1.16862e+05 5.62068e+05 -4.06232e+06 1.01631e+04 Potential Pressure (bar) -3.34111e+06 -5.16226e+03 Step Time 2325 2325.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98934e+03 6.03524e+03 1.98499e+04 2.47975e+02 -1.08569e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99303e+03 1.16859e+05 5.62080e+05 -4.06233e+06 1.01630e+04 Potential Pressure (bar) -3.34120e+06 -5.16033e+03 Step Time 2326 2326.00000 Step Time 2327 2327.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00334e+03 6.03951e+03 1.98498e+04 2.47941e+02 -1.08566e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99208e+03 1.16860e+05 5.62104e+05 -4.06239e+06 1.01622e+04 Potential Pressure (bar) -3.34122e+06 -5.16087e+03 Step Time 2328 2328.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99672e+03 6.03602e+03 1.98498e+04 2.47970e+02 -1.08574e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99310e+03 1.16858e+05 5.62121e+05 -4.06242e+06 1.01620e+04 Potential Pressure (bar) -3.34124e+06 -5.15964e+03 Step Time 2329 2329.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01870e+03 6.04271e+03 1.98496e+04 2.47918e+02 -1.08568e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99176e+03 1.16860e+05 5.62144e+05 -4.06247e+06 1.01612e+04 Potential Pressure (bar) -3.34124e+06 -5.16055e+03 Step Time 2330 2330.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01331e+03 6.03784e+03 1.98497e+04 2.47959e+02 -1.08579e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99325e+03 1.16857e+05 5.62163e+05 -4.06250e+06 1.01610e+04 Potential Pressure (bar) -3.34126e+06 -5.15892e+03 Step Time 2331 2331.00000 Step Time 2332 2332.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98701e+03 6.03632e+03 1.98496e+04 2.47924e+02 -1.08575e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99226e+03 1.16859e+05 5.62173e+05 -4.06253e+06 1.01605e+04 Potential Pressure (bar) -3.34131e+06 -5.15943e+03 Step Time 2333 2333.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02947e+03 6.03991e+03 1.98495e+04 2.47935e+02 -1.08587e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99322e+03 1.16856e+05 5.62234e+05 -4.06265e+06 1.01592e+04 Potential Pressure (bar) -3.34132e+06 -5.15782e+03 Step Time 2334 2334.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99421e+03 6.03812e+03 1.98494e+04 2.47883e+02 -1.08580e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99181e+03 1.16858e+05 5.62246e+05 -4.06268e+06 1.01585e+04 Potential Pressure (bar) -3.34138e+06 -5.15861e+03 Step Time 2335 2335.00000 Step Time 2336 2336.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99311e+03 6.03600e+03 1.98493e+04 2.47900e+02 -1.08587e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99257e+03 1.16856e+05 5.62264e+05 -4.06271e+06 1.01582e+04 Potential Pressure (bar) -3.34140e+06 -5.15764e+03 Step Time 2337 2337.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00244e+03 6.03992e+03 1.98492e+04 2.47865e+02 -1.08583e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99154e+03 1.16858e+05 5.62285e+05 -4.06276e+06 1.01575e+04 Potential Pressure (bar) -3.34142e+06 -5.15825e+03 Step Time 2338 2338.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00282e+03 6.03707e+03 1.98492e+04 2.47891e+02 -1.08591e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99264e+03 1.16856e+05 5.62304e+05 -4.06280e+06 1.01572e+04 Potential Pressure (bar) -3.34144e+06 -5.15696e+03 Step Time 2339 2339.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01868e+03 6.04327e+03 1.98491e+04 2.47846e+02 -1.08585e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99119e+03 1.16858e+05 5.62324e+05 -4.06285e+06 1.01565e+04 Potential Pressure (bar) -3.34144e+06 -5.15802e+03 Step Time 2340 2340.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02376e+03 6.03942e+03 1.98491e+04 2.47887e+02 -1.08597e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99281e+03 1.16855e+05 5.62344e+05 -4.06287e+06 1.01563e+04 Potential Pressure (bar) -3.34145e+06 -5.15628e+03 Step Time 2341 2341.00000 Step Time 2342 2342.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98661e+03 6.03653e+03 1.98491e+04 2.47850e+02 -1.08592e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99175e+03 1.16856e+05 5.62353e+05 -4.06290e+06 1.01558e+04 Potential Pressure (bar) -3.34151e+06 -5.15681e+03 Step Time 2343 2343.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04326e+03 6.04210e+03 1.98488e+04 2.47842e+02 -1.08607e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99266e+03 1.16853e+05 5.62448e+05 -4.06308e+06 1.01536e+04 Potential Pressure (bar) -3.34154e+06 -5.15477e+03 Step Time 2344 2344.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99353e+03 6.03831e+03 1.98487e+04 2.47794e+02 -1.08600e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99117e+03 1.16856e+05 5.62459e+05 -4.06312e+06 1.01530e+04 Potential Pressure (bar) -3.34162e+06 -5.15560e+03 Step Time 2345 2345.00000 Step Time 2346 2346.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99768e+03 6.03695e+03 1.98487e+04 2.47810e+02 -1.08607e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99198e+03 1.16854e+05 5.62480e+05 -4.06316e+06 1.01526e+04 Potential Pressure (bar) -3.34163e+06 -5.15452e+03 Step Time 2347 2347.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00182e+03 6.04016e+03 1.98486e+04 2.47773e+02 -1.08603e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99090e+03 1.16855e+05 5.62497e+05 -4.06320e+06 1.01519e+04 Potential Pressure (bar) -3.34165e+06 -5.15524e+03 Step Time 2348 2348.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01020e+03 6.03835e+03 1.98486e+04 2.47799e+02 -1.08611e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99208e+03 1.16853e+05 5.62519e+05 -4.06324e+06 1.01516e+04 Potential Pressure (bar) -3.34166e+06 -5.15382e+03 Step Time 2349 2349.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01885e+03 6.04370e+03 1.98485e+04 2.47752e+02 -1.08605e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99054e+03 1.16855e+05 5.62537e+05 -4.06328e+06 1.01509e+04 Potential Pressure (bar) -3.34168e+06 -5.15500e+03 Step Time 2350 2350.00000 Step Time 2351 2351.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98654e+03 6.03634e+03 1.98485e+04 2.47772e+02 -1.08611e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99138e+03 1.16854e+05 5.62548e+05 -4.06330e+06 1.01507e+04 Potential Pressure (bar) -3.34172e+06 -5.15383e+03 Step Time 2352 2352.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03560e+03 6.04658e+03 1.98482e+04 2.47707e+02 -1.08612e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99008e+03 1.16855e+05 5.62630e+05 -4.06348e+06 1.01485e+04 Potential Pressure (bar) -3.34176e+06 -5.15399e+03 Step Time 2353 2353.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99095e+03 6.03667e+03 1.98483e+04 2.47737e+02 -1.08620e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99130e+03 1.16852e+05 5.62642e+05 -4.06349e+06 1.01483e+04 Potential Pressure (bar) -3.34182e+06 -5.15235e+03 Step Time 2354 2354.00000 Step Time 2355 2355.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99779e+03 6.03951e+03 1.98482e+04 2.47703e+02 -1.08618e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99047e+03 1.16853e+05 5.62663e+05 -4.06354e+06 1.01477e+04 Potential Pressure (bar) -3.34184e+06 -5.15277e+03 Step Time 2356 2356.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99707e+03 6.03730e+03 1.98482e+04 2.47725e+02 -1.08624e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99135e+03 1.16851e+05 5.62682e+05 -4.06357e+06 1.01473e+04 Potential Pressure (bar) -3.34186e+06 -5.15165e+03 Step Time 2357 2357.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00844e+03 6.04180e+03 1.98481e+04 2.47684e+02 -1.08620e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99018e+03 1.16853e+05 5.62702e+05 -4.06362e+06 1.01467e+04 Potential Pressure (bar) -3.34187e+06 -5.15247e+03 Step Time 2358 2358.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01030e+03 6.03877e+03 1.98481e+04 2.47715e+02 -1.08629e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99146e+03 1.16850e+05 5.62721e+05 -4.06365e+06 1.01464e+04 Potential Pressure (bar) -3.34188e+06 -5.15102e+03 Step Time 2359 2359.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02968e+03 6.04611e+03 1.98480e+04 2.47661e+02 -1.08622e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98981e+03 1.16853e+05 5.62740e+05 -4.06370e+06 1.01457e+04 Potential Pressure (bar) -3.34189e+06 -5.15227e+03 Step Time 2360 2360.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03867e+03 6.04201e+03 1.98480e+04 2.47709e+02 -1.08634e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99169e+03 1.16849e+05 5.62760e+05 -4.06373e+06 1.01455e+04 Potential Pressure (bar) -3.34189e+06 -5.15031e+03 Step Time 2361 2361.00000 Step Time 2362 2362.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98783e+03 6.03761e+03 1.98479e+04 2.47668e+02 -1.08629e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99047e+03 1.16851e+05 5.62770e+05 -4.06376e+06 1.01449e+04 Potential Pressure (bar) -3.34196e+06 -5.15090e+03 Step Time 2363 2363.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06508e+03 6.04573e+03 1.98478e+04 2.47675e+02 -1.08646e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99156e+03 1.16848e+05 5.62869e+05 -4.06395e+06 1.01428e+04 Potential Pressure (bar) -3.34197e+06 -5.14875e+03 Step Time 2364 2364.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99670e+03 6.03977e+03 1.98476e+04 2.47619e+02 -1.08638e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98983e+03 1.16851e+05 5.62879e+05 -4.06398e+06 1.01421e+04 Potential Pressure (bar) -3.34207e+06 -5.14966e+03 Step Time 2365 2365.00000 Step Time 2366 2366.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00332e+03 6.03843e+03 1.98476e+04 2.47632e+02 -1.08644e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99079e+03 1.16848e+05 5.62901e+05 -4.06402e+06 1.01417e+04 Potential Pressure (bar) -3.34209e+06 -5.14847e+03 Step Time 2367 2367.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00744e+03 6.04211e+03 1.98475e+04 2.47594e+02 -1.08639e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98954e+03 1.16851e+05 5.62919e+05 -4.06406e+06 1.01411e+04 Potential Pressure (bar) -3.34210e+06 -5.14937e+03 Step Time 2368 2368.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02031e+03 6.04039e+03 1.98476e+04 2.47624e+02 -1.08649e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99092e+03 1.16848e+05 5.62940e+05 -4.06410e+06 1.01408e+04 Potential Pressure (bar) -3.34211e+06 -5.14781e+03 Step Time 2369 2369.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02966e+03 6.04666e+03 1.98474e+04 2.47573e+02 -1.08641e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98916e+03 1.16851e+05 5.62958e+05 -4.06414e+06 1.01402e+04 Potential Pressure (bar) -3.34212e+06 -5.14917e+03 Step Time 2370 2370.00000 Step Time 2371 2371.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98788e+03 6.03734e+03 1.98475e+04 2.47594e+02 -1.08647e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99013e+03 1.16849e+05 5.62968e+05 -4.06416e+06 1.01399e+04 Potential Pressure (bar) -3.34218e+06 -5.14784e+03 Step Time 2372 2372.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05160e+03 6.05031e+03 1.98472e+04 2.47527e+02 -1.08647e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98868e+03 1.16850e+05 5.63045e+05 -4.06432e+06 1.01379e+04 Potential Pressure (bar) -3.34219e+06 -5.14827e+03 Step Time 2373 2373.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99398e+03 6.03783e+03 1.98473e+04 2.47560e+02 -1.08656e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99009e+03 1.16847e+05 5.63058e+05 -4.06434e+06 1.01377e+04 Potential Pressure (bar) -3.34227e+06 -5.14641e+03 Step Time 2374 2374.00000 Step Time 2375 2375.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00196e+03 6.04111e+03 1.98472e+04 2.47527e+02 -1.08653e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98916e+03 1.16848e+05 5.63078e+05 -4.06439e+06 1.01371e+04 Potential Pressure (bar) -3.34228e+06 -5.14696e+03 Step Time 2376 2376.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00235e+03 6.03871e+03 1.98472e+04 2.47551e+02 -1.08660e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99016e+03 1.16846e+05 5.63096e+05 -4.06442e+06 1.01368e+04 Potential Pressure (bar) -3.34230e+06 -5.14575e+03 Step Time 2377 2377.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01587e+03 6.04401e+03 1.98471e+04 2.47506e+02 -1.08654e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98883e+03 1.16848e+05 5.63115e+05 -4.06447e+06 1.01361e+04 Potential Pressure (bar) -3.34231e+06 -5.14669e+03 Step Time 2378 2378.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02032e+03 6.04074e+03 1.98471e+04 2.47543e+02 -1.08665e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99031e+03 1.16845e+05 5.63135e+05 -4.06450e+06 1.01359e+04 Potential Pressure (bar) -3.34232e+06 -5.14503e+03 Step Time 2379 2379.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04364e+03 6.04963e+03 1.98470e+04 2.47484e+02 -1.08656e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98843e+03 1.16849e+05 5.63154e+05 -4.06455e+06 1.01352e+04 Potential Pressure (bar) -3.34232e+06 -5.14657e+03 Step Time 2380 2380.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05878e+03 6.04515e+03 1.98471e+04 2.47540e+02 -1.08670e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.99060e+03 1.16844e+05 5.63174e+05 -4.06458e+06 1.01351e+04 Potential Pressure (bar) -3.34232e+06 -5.14438e+03 Step Time 2381 2381.00000 Step Time 2382 2382.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98908e+03 6.03867e+03 1.98470e+04 2.47494e+02 -1.08663e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98918e+03 1.16846e+05 5.63183e+05 -4.06461e+06 1.01345e+04 Potential Pressure (bar) -3.34242e+06 -5.14501e+03 Step Time 2383 2383.00000 Step Time 2384 2384.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00861e+03 6.03978e+03 1.98469e+04 2.47496e+02 -1.08672e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98982e+03 1.16844e+05 5.63236e+05 -4.06471e+06 1.01333e+04 Potential Pressure (bar) -3.34245e+06 -5.14369e+03 Step Time 2385 2385.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99348e+03 6.03971e+03 1.98468e+04 2.47462e+02 -1.08668e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98882e+03 1.16846e+05 5.63248e+05 -4.06474e+06 1.01328e+04 Potential Pressure (bar) -3.34248e+06 -5.14429e+03 Step Time 2386 2386.00000 Step Time 2387 2387.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99110e+03 6.03808e+03 1.98468e+04 2.47470e+02 -1.08672e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98934e+03 1.16845e+05 5.63264e+05 -4.06477e+06 1.01325e+04 Potential Pressure (bar) -3.34250e+06 -5.14348e+03 Step Time 2388 2388.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99812e+03 6.04078e+03 1.98467e+04 2.47440e+02 -1.08670e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98859e+03 1.16846e+05 5.63287e+05 -4.06482e+06 1.01319e+04 Potential Pressure (bar) -3.34252e+06 -5.14386e+03 Step Time 2389 2389.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99562e+03 6.03852e+03 1.98468e+04 2.47455e+02 -1.08675e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98936e+03 1.16844e+05 5.63305e+05 -4.06485e+06 1.01315e+04 Potential Pressure (bar) -3.34254e+06 -5.14284e+03 Step Time 2390 2390.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00706e+03 6.04267e+03 1.98467e+04 2.47422e+02 -1.08672e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98832e+03 1.16846e+05 5.63325e+05 -4.06490e+06 1.01308e+04 Potential Pressure (bar) -3.34255e+06 -5.14352e+03 Step Time 2391 2391.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00560e+03 6.03961e+03 1.98467e+04 2.47448e+02 -1.08679e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98945e+03 1.16843e+05 5.63344e+05 -4.06493e+06 1.01306e+04 Potential Pressure (bar) -3.34257e+06 -5.14213e+03 Step Time 2392 2392.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02460e+03 6.04624e+03 1.98466e+04 2.47400e+02 -1.08673e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98797e+03 1.16846e+05 5.63363e+05 -4.06498e+06 1.01299e+04 Potential Pressure (bar) -3.34257e+06 -5.14329e+03 Step Time 2393 2393.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02734e+03 6.04208e+03 1.98466e+04 2.47438e+02 -1.08684e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98963e+03 1.16842e+05 5.63382e+05 -4.06501e+06 1.01297e+04 Potential Pressure (bar) -3.34259e+06 -5.14147e+03 Step Time 2394 2394.00000 Step Time 2395 2395.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98960e+03 6.03907e+03 1.98466e+04 2.47402e+02 -1.08679e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98855e+03 1.16844e+05 5.63392e+05 -4.06503e+06 1.01292e+04 Potential Pressure (bar) -3.34264e+06 -5.14204e+03 Step Time 2396 2396.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04787e+03 6.04486e+03 1.98465e+04 2.47415e+02 -1.08692e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98954e+03 1.16841e+05 5.63474e+05 -4.06519e+06 1.01274e+04 Potential Pressure (bar) -3.34266e+06 -5.14009e+03 Step Time 2397 2397.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99721e+03 6.04096e+03 1.98464e+04 2.47362e+02 -1.08686e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98800e+03 1.16844e+05 5.63485e+05 -4.06522e+06 1.01269e+04 Potential Pressure (bar) -3.34273e+06 -5.14099e+03 Step Time 2398 2398.00000 Step Time 2399 2399.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00036e+03 6.03940e+03 1.98464e+04 2.47375e+02 -1.08691e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98884e+03 1.16842e+05 5.63505e+05 -4.06526e+06 1.01265e+04 Potential Pressure (bar) -3.34275e+06 -5.13987e+03 Step Time 2400 2400.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00627e+03 6.04292e+03 1.98463e+04 2.47341e+02 -1.08687e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98773e+03 1.16844e+05 5.63523e+05 -4.06530e+06 1.01259e+04 Potential Pressure (bar) -3.34276e+06 -5.14064e+03 Step Time 2401 2401.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01335e+03 6.04087e+03 1.98463e+04 2.47366e+02 -1.08695e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98895e+03 1.16841e+05 5.63544e+05 -4.06534e+06 1.01256e+04 Potential Pressure (bar) -3.34278e+06 -5.13923e+03 Step Time 2402 2402.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02469e+03 6.04669e+03 1.98462e+04 2.47320e+02 -1.08688e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98737e+03 1.16844e+05 5.63562e+05 -4.06538e+06 1.01250e+04 Potential Pressure (bar) -3.34279e+06 -5.14046e+03 Step Time 2403 2403.00000 Step Time 2404 2404.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.98910e+03 6.03877e+03 1.98463e+04 2.47337e+02 -1.08694e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98823e+03 1.16842e+05 5.63572e+05 -4.06540e+06 1.01247e+04 Potential Pressure (bar) -3.34284e+06 -5.13923e+03 Step Time 2405 2405.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04288e+03 6.04979e+03 1.98460e+04 2.47269e+02 -1.08694e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98688e+03 1.16843e+05 5.63663e+05 -4.06558e+06 1.01224e+04 Potential Pressure (bar) -3.34287e+06 -5.13928e+03 Step Time 2406 2406.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99344e+03 6.03911e+03 1.98461e+04 2.47299e+02 -1.08702e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98813e+03 1.16840e+05 5.63675e+05 -4.06560e+06 1.01222e+04 Potential Pressure (bar) -3.34294e+06 -5.13758e+03 Step Time 2407 2407.00000 Step Time 2408 2408.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00193e+03 6.04221e+03 1.98460e+04 2.47266e+02 -1.08699e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98728e+03 1.16841e+05 5.63696e+05 -4.06565e+06 1.01216e+04 Potential Pressure (bar) -3.34295e+06 -5.13806e+03 Step Time 2409 2409.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99971e+03 6.03976e+03 1.98460e+04 2.47285e+02 -1.08705e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98819e+03 1.16839e+05 5.63714e+05 -4.06568e+06 1.01214e+04 Potential Pressure (bar) -3.34297e+06 -5.13691e+03 Step Time 2410 2410.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01355e+03 6.04466e+03 1.98460e+04 2.47245e+02 -1.08700e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98698e+03 1.16841e+05 5.63734e+05 -4.06573e+06 1.01207e+04 Potential Pressure (bar) -3.34298e+06 -5.13773e+03 Step Time 2411 2411.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01342e+03 6.04128e+03 1.98460e+04 2.47278e+02 -1.08709e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98831e+03 1.16838e+05 5.63753e+05 -4.06576e+06 1.01205e+04 Potential Pressure (bar) -3.34300e+06 -5.13622e+03 Step Time 2412 2412.00000 Step Time 2413 2413.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99028e+03 6.03983e+03 1.98459e+04 2.47246e+02 -1.08705e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98743e+03 1.16840e+05 5.63762e+05 -4.06579e+06 1.01201e+04 Potential Pressure (bar) -3.34304e+06 -5.13669e+03 Step Time 2414 2414.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02662e+03 6.04306e+03 1.98459e+04 2.47251e+02 -1.08716e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98820e+03 1.16837e+05 5.63839e+05 -4.06593e+06 1.01183e+04 Potential Pressure (bar) -3.34308e+06 -5.13492e+03 Step Time 2415 2415.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99549e+03 6.04124e+03 1.98458e+04 2.47204e+02 -1.08710e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98696e+03 1.16839e+05 5.63850e+05 -4.06597e+06 1.01178e+04 Potential Pressure (bar) -3.34313e+06 -5.13566e+03 Step Time 2416 2416.00000 Step Time 2417 2417.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99666e+03 6.03981e+03 1.98458e+04 2.47216e+02 -1.08715e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98762e+03 1.16838e+05 5.63870e+05 -4.06600e+06 1.01174e+04 Potential Pressure (bar) -3.34315e+06 -5.13470e+03 Step Time 2418 2418.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00157e+03 6.04262e+03 1.98458e+04 2.47187e+02 -1.08712e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98671e+03 1.16839e+05 5.63888e+05 -4.06604e+06 1.01169e+04 Potential Pressure (bar) -3.34316e+06 -5.13525e+03 Step Time 2419 2419.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00483e+03 6.04070e+03 1.98458e+04 2.47205e+02 -1.08718e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98768e+03 1.16837e+05 5.63908e+05 -4.06608e+06 1.01166e+04 Potential Pressure (bar) -3.34318e+06 -5.13405e+03 Step Time 2420 2420.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01382e+03 6.04520e+03 1.98457e+04 2.47164e+02 -1.08713e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98640e+03 1.16839e+05 5.63926e+05 -4.06612e+06 1.01159e+04 Potential Pressure (bar) -3.34319e+06 -5.13497e+03 Step Time 2421 2421.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02204e+03 6.04265e+03 1.98457e+04 2.47198e+02 -1.08722e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98782e+03 1.16836e+05 5.63946e+05 -4.06615e+06 1.01157e+04 Potential Pressure (bar) -3.34320e+06 -5.13337e+03 Step Time 2422 2422.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03858e+03 6.05025e+03 1.98456e+04 2.47143e+02 -1.08714e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98601e+03 1.16839e+05 5.63964e+05 -4.06620e+06 1.01150e+04 Potential Pressure (bar) -3.34320e+06 -5.13486e+03 Step Time 2423 2423.00000 Step Time 2424 2424.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99016e+03 6.03975e+03 1.98457e+04 2.47168e+02 -1.08720e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98701e+03 1.16837e+05 5.63974e+05 -4.06622e+06 1.01148e+04 Potential Pressure (bar) -3.34327e+06 -5.13343e+03 Step Time 2425 2425.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06335e+03 6.05417e+03 1.98455e+04 2.47096e+02 -1.08720e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98543e+03 1.16838e+05 5.64076e+05 -4.06642e+06 1.01123e+04 Potential Pressure (bar) -3.34329e+06 -5.13363e+03 Step Time 2426 2426.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99570e+03 6.04018e+03 1.98455e+04 2.47128e+02 -1.08728e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98690e+03 1.16835e+05 5.64087e+05 -4.06644e+06 1.01121e+04 Potential Pressure (bar) -3.34338e+06 -5.13163e+03 Step Time 2427 2427.00000 Step Time 2428 2428.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00782e+03 6.04418e+03 1.98455e+04 2.47090e+02 -1.08724e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98594e+03 1.16837e+05 5.64109e+05 -4.06649e+06 1.01115e+04 Potential Pressure (bar) -3.34339e+06 -5.13222e+03 Step Time 2429 2429.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00397e+03 6.04105e+03 1.98455e+04 2.47117e+02 -1.08731e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98698e+03 1.16834e+05 5.64126e+05 -4.06652e+06 1.01113e+04 Potential Pressure (bar) -3.34341e+06 -5.13095e+03 Step Time 2430 2430.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02344e+03 6.04740e+03 1.98454e+04 2.47067e+02 -1.08725e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98561e+03 1.16836e+05 5.64147e+05 -4.06657e+06 1.01105e+04 Potential Pressure (bar) -3.34342e+06 -5.13195e+03 Step Time 2431 2431.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02221e+03 6.04307e+03 1.98455e+04 2.47110e+02 -1.08735e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98716e+03 1.16833e+05 5.64165e+05 -4.06660e+06 1.01103e+04 Potential Pressure (bar) -3.34343e+06 -5.13025e+03 Step Time 2432 2432.00000 Step Time 2433 2433.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99179e+03 6.04099e+03 1.98454e+04 2.47074e+02 -1.08730e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98614e+03 1.16835e+05 5.64174e+05 -4.06662e+06 1.01099e+04 Potential Pressure (bar) -3.34348e+06 -5.13076e+03 Step Time 2434 2434.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03973e+03 6.04538e+03 1.98454e+04 2.47084e+02 -1.08740e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98709e+03 1.16832e+05 5.64244e+05 -4.06675e+06 1.01085e+04 Potential Pressure (bar) -3.34349e+06 -5.12903e+03 Step Time 2435 2435.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99883e+03 6.04277e+03 1.98453e+04 2.47034e+02 -1.08733e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98565e+03 1.16835e+05 5.64255e+05 -4.06679e+06 1.01079e+04 Potential Pressure (bar) -3.34356e+06 -5.12987e+03 Step Time 2436 2436.00000 Step Time 2437 2437.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99983e+03 6.04098e+03 1.98453e+04 2.47051e+02 -1.08739e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98642e+03 1.16833e+05 5.64275e+05 -4.06682e+06 1.01076e+04 Potential Pressure (bar) -3.34357e+06 -5.12884e+03 Step Time 2438 2438.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00704e+03 6.04458e+03 1.98453e+04 2.47015e+02 -1.08735e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98538e+03 1.16834e+05 5.64293e+05 -4.06686e+06 1.01070e+04 Potential Pressure (bar) -3.34359e+06 -5.12951e+03 Step Time 2439 2439.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01062e+03 6.04218e+03 1.98453e+04 2.47040e+02 -1.08742e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98652e+03 1.16832e+05 5.64312e+05 -4.06690e+06 1.01067e+04 Potential Pressure (bar) -3.34360e+06 -5.12818e+03 Step Time 2440 2440.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02352e+03 6.04798e+03 1.98452e+04 2.46995e+02 -1.08735e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98504e+03 1.16834e+05 5.64330e+05 -4.06694e+06 1.01061e+04 Potential Pressure (bar) -3.34361e+06 -5.12928e+03 Step Time 2441 2441.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03353e+03 6.04479e+03 1.98453e+04 2.47034e+02 -1.08745e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98671e+03 1.16831e+05 5.64350e+05 -4.06697e+06 1.01059e+04 Potential Pressure (bar) -3.34361e+06 -5.12749e+03 Step Time 2442 2442.00000 Step Time 2443 2443.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99149e+03 6.04122e+03 1.98452e+04 2.46998e+02 -1.08740e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98562e+03 1.16833e+05 5.64359e+05 -4.06700e+06 1.01055e+04 Potential Pressure (bar) -3.34368e+06 -5.12806e+03 Step Time 2444 2444.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05452e+03 6.04791e+03 1.98452e+04 2.46999e+02 -1.08754e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98649e+03 1.16829e+05 5.64475e+05 -4.06722e+06 1.01029e+04 Potential Pressure (bar) -3.34372e+06 -5.12569e+03 Step Time 2445 2445.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99825e+03 6.04298e+03 1.98451e+04 2.46942e+02 -1.08746e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98496e+03 1.16832e+05 5.64484e+05 -4.06725e+06 1.01024e+04 Potential Pressure (bar) -3.34380e+06 -5.12650e+03 Step Time 2446 2446.00000 Step Time 2447 2447.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00484e+03 6.04204e+03 1.98451e+04 2.46953e+02 -1.08751e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98581e+03 1.16830e+05 5.64507e+05 -4.06729e+06 1.01020e+04 Potential Pressure (bar) -3.34382e+06 -5.12540e+03 Step Time 2448 2448.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00650e+03 6.04485e+03 1.98451e+04 2.46921e+02 -1.08747e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98469e+03 1.16832e+05 5.64523e+05 -4.06733e+06 1.01014e+04 Potential Pressure (bar) -3.34383e+06 -5.12615e+03 Step Time 2449 2449.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01865e+03 6.04364e+03 1.98451e+04 2.46946e+02 -1.08754e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98592e+03 1.16829e+05 5.64546e+05 -4.06736e+06 1.01011e+04 Potential Pressure (bar) -3.34384e+06 -5.12471e+03 Step Time 2450 2450.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02374e+03 6.04845e+03 1.98450e+04 2.46896e+02 -1.08747e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98434e+03 1.16832e+05 5.64561e+05 -4.06741e+06 1.01006e+04 Potential Pressure (bar) -3.34385e+06 -5.12592e+03 Step Time 2451 2451.00000 Step Time 2452 2452.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99203e+03 6.04118e+03 1.98451e+04 2.46914e+02 -1.08752e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98521e+03 1.16830e+05 5.64572e+05 -4.06742e+06 1.01003e+04 Potential Pressure (bar) -3.34390e+06 -5.12472e+03 Step Time 2453 2453.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04077e+03 6.05149e+03 1.98449e+04 2.46868e+02 -1.08750e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98390e+03 1.16831e+05 5.64637e+05 -4.06756e+06 1.00988e+04 Potential Pressure (bar) -3.34391e+06 -5.12514e+03 Step Time 2454 2454.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99725e+03 6.04162e+03 1.98450e+04 2.46895e+02 -1.08757e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98518e+03 1.16829e+05 5.64650e+05 -4.06758e+06 1.00985e+04 Potential Pressure (bar) -3.34397e+06 -5.12343e+03 Step Time 2455 2455.00000 Step Time 2456 2456.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00225e+03 6.04423e+03 1.98450e+04 2.46862e+02 -1.08754e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98433e+03 1.16830e+05 5.64668e+05 -4.06762e+06 1.00980e+04 Potential Pressure (bar) -3.34399e+06 -5.12393e+03 Step Time 2457 2457.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00413e+03 6.04235e+03 1.98450e+04 2.46882e+02 -1.08759e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98523e+03 1.16828e+05 5.64687e+05 -4.06766e+06 1.00977e+04 Potential Pressure (bar) -3.34401e+06 -5.12282e+03 Step Time 2458 2458.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01303e+03 6.04650e+03 1.98449e+04 2.46844e+02 -1.08754e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98403e+03 1.16830e+05 5.64705e+05 -4.06770e+06 1.00971e+04 Potential Pressure (bar) -3.34402e+06 -5.12364e+03 Step Time 2459 2459.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01870e+03 6.04399e+03 1.98450e+04 2.46874e+02 -1.08762e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98535e+03 1.16827e+05 5.64724e+05 -4.06773e+06 1.00968e+04 Potential Pressure (bar) -3.34403e+06 -5.12211e+03 Step Time 2460 2460.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03465e+03 6.05093e+03 1.98449e+04 2.46818e+02 -1.08754e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98366e+03 1.16830e+05 5.64742e+05 -4.06778e+06 1.00962e+04 Potential Pressure (bar) -3.34404e+06 -5.12345e+03 Step Time 2461 2461.00000 Step Time 2462 2462.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99201e+03 6.04169e+03 1.98449e+04 2.46839e+02 -1.08760e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98459e+03 1.16828e+05 5.64751e+05 -4.06779e+06 1.00961e+04 Potential Pressure (bar) -3.34409e+06 -5.12216e+03 Step Time 2463 2463.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05640e+03 6.05455e+03 1.98448e+04 2.46766e+02 -1.08759e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98311e+03 1.16829e+05 5.64859e+05 -4.06801e+06 1.00934e+04 Potential Pressure (bar) -3.34413e+06 -5.12212e+03 Step Time 2464 2464.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99658e+03 6.04205e+03 1.98449e+04 2.46798e+02 -1.08767e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98445e+03 1.16826e+05 5.64870e+05 -4.06803e+06 1.00932e+04 Potential Pressure (bar) -3.34421e+06 -5.12024e+03 Step Time 2465 2465.00000 Step Time 2466 2466.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00791e+03 6.04581e+03 1.98448e+04 2.46760e+02 -1.08763e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98354e+03 1.16827e+05 5.64892e+05 -4.06807e+06 1.00926e+04 Potential Pressure (bar) -3.34422e+06 -5.12079e+03 Step Time 2467 2467.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00355e+03 6.04277e+03 1.98448e+04 2.46785e+02 -1.08769e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98451e+03 1.16825e+05 5.64909e+05 -4.06810e+06 1.00924e+04 Potential Pressure (bar) -3.34424e+06 -5.11961e+03 Step Time 2468 2468.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02158e+03 6.04867e+03 1.98448e+04 2.46739e+02 -1.08763e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98323e+03 1.16827e+05 5.64930e+05 -4.06815e+06 1.00918e+04 Potential Pressure (bar) -3.34425e+06 -5.12046e+03 Step Time 2469 2469.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01898e+03 6.04447e+03 1.98449e+04 2.46777e+02 -1.08772e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98466e+03 1.16824e+05 5.64948e+05 -4.06818e+06 1.00916e+04 Potential Pressure (bar) -3.34426e+06 -5.11890e+03 Step Time 2470 2470.00000 Step Time 2471 2471.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99373e+03 6.04295e+03 1.98448e+04 2.46745e+02 -1.08767e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98372e+03 1.16826e+05 5.64957e+05 -4.06820e+06 1.00911e+04 Potential Pressure (bar) -3.34430e+06 -5.11939e+03 Step Time 2472 2472.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03386e+03 6.04646e+03 1.98448e+04 2.46757e+02 -1.08776e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98461e+03 1.16823e+05 5.65021e+05 -4.06833e+06 1.00898e+04 Potential Pressure (bar) -3.34433e+06 -5.11774e+03 Step Time 2473 2473.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99999e+03 6.04459e+03 1.98448e+04 2.46711e+02 -1.08769e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98327e+03 1.16825e+05 5.65032e+05 -4.06836e+06 1.00893e+04 Potential Pressure (bar) -3.34438e+06 -5.11851e+03 Step Time 2474 2474.00000 Step Time 2475 2475.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00010e+03 6.04282e+03 1.98448e+04 2.46725e+02 -1.08774e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98398e+03 1.16824e+05 5.65051e+05 -4.06839e+06 1.00890e+04 Potential Pressure (bar) -3.34440e+06 -5.11754e+03 Step Time 2476 2476.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00725e+03 6.04619e+03 1.98447e+04 2.46690e+02 -1.08770e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98300e+03 1.16825e+05 5.65069e+05 -4.06843e+06 1.00885e+04 Potential Pressure (bar) -3.34441e+06 -5.11812e+03 Step Time 2477 2477.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00921e+03 6.04383e+03 1.98448e+04 2.46717e+02 -1.08776e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98406e+03 1.16823e+05 5.65088e+05 -4.06846e+06 1.00882e+04 Potential Pressure (bar) -3.34442e+06 -5.11688e+03 Step Time 2478 2478.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02169e+03 6.04919e+03 1.98447e+04 2.46670e+02 -1.08770e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98268e+03 1.16825e+05 5.65107e+05 -4.06851e+06 1.00876e+04 Potential Pressure (bar) -3.34443e+06 -5.11789e+03 Step Time 2479 2479.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02862e+03 6.04603e+03 1.98448e+04 2.46709e+02 -1.08779e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98423e+03 1.16822e+05 5.65126e+05 -4.06854e+06 1.00873e+04 Potential Pressure (bar) -3.34444e+06 -5.11621e+03 Step Time 2480 2480.00000 Step Time 2481 2481.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99346e+03 6.04321e+03 1.98447e+04 2.46676e+02 -1.08774e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98322e+03 1.16824e+05 5.65134e+05 -4.06856e+06 1.00870e+04 Potential Pressure (bar) -3.34449e+06 -5.11674e+03 Step Time 2482 2482.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04650e+03 6.04867e+03 1.98448e+04 2.46661e+02 -1.08784e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98404e+03 1.16820e+05 5.65238e+05 -4.06876e+06 1.00847e+04 Potential Pressure (bar) -3.34454e+06 -5.11455e+03 Step Time 2483 2483.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99948e+03 6.04488e+03 1.98447e+04 2.46620e+02 -1.08778e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98262e+03 1.16823e+05 5.65248e+05 -4.06879e+06 1.00843e+04 Potential Pressure (bar) -3.34461e+06 -5.11534e+03 Step Time 2484 2484.00000 Step Time 2485 2485.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00439e+03 6.04378e+03 1.98447e+04 2.46635e+02 -1.08782e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98339e+03 1.16821e+05 5.65270e+05 -4.06883e+06 1.00839e+04 Potential Pressure (bar) -3.34462e+06 -5.11429e+03 Step Time 2486 2486.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00676e+03 6.04655e+03 1.98447e+04 2.46603e+02 -1.08778e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98236e+03 1.16823e+05 5.65286e+05 -4.06887e+06 1.00834e+04 Potential Pressure (bar) -3.34464e+06 -5.11500e+03 Step Time 2487 2487.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01607e+03 6.04514e+03 1.98447e+04 2.46627e+02 -1.08784e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98348e+03 1.16820e+05 5.65307e+05 -4.06890e+06 1.00830e+04 Potential Pressure (bar) -3.34464e+06 -5.11363e+03 Step Time 2488 2488.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02191e+03 6.04971e+03 1.98447e+04 2.46580e+02 -1.08778e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98202e+03 1.16823e+05 5.65324e+05 -4.06894e+06 1.00825e+04 Potential Pressure (bar) -3.34465e+06 -5.11473e+03 Step Time 2489 2489.00000 Step Time 2490 2490.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99373e+03 6.04320e+03 1.98447e+04 2.46596e+02 -1.08782e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98282e+03 1.16821e+05 5.65334e+05 -4.06896e+06 1.00823e+04 Potential Pressure (bar) -3.34470e+06 -5.11364e+03 Step Time 2491 2491.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03678e+03 6.05245e+03 1.98446e+04 2.46548e+02 -1.08780e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98160e+03 1.16822e+05 5.65402e+05 -4.06910e+06 1.00806e+04 Potential Pressure (bar) -3.34473e+06 -5.11383e+03 Step Time 2492 2492.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99806e+03 6.04355e+03 1.98447e+04 2.46571e+02 -1.08786e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98277e+03 1.16820e+05 5.65414e+05 -4.06912e+06 1.00804e+04 Potential Pressure (bar) -3.34478e+06 -5.11230e+03 Step Time 2493 2493.00000 Step Time 2494 2494.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00311e+03 6.04606e+03 1.98447e+04 2.46540e+02 -1.08783e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98198e+03 1.16821e+05 5.65432e+05 -4.06916e+06 1.00799e+04 Potential Pressure (bar) -3.34479e+06 -5.11273e+03 Step Time 2495 2495.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00385e+03 6.04414e+03 1.98447e+04 2.46561e+02 -1.08788e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98280e+03 1.16819e+05 5.65450e+05 -4.06919e+06 1.00797e+04 Potential Pressure (bar) -3.34481e+06 -5.11164e+03 Step Time 2496 2496.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01257e+03 6.04810e+03 1.98446e+04 2.46522e+02 -1.08783e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98170e+03 1.16821e+05 5.65468e+05 -4.06924e+06 1.00791e+04 Potential Pressure (bar) -3.34482e+06 -5.11240e+03 Step Time 2497 2497.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01617e+03 6.04552e+03 1.98447e+04 2.46552e+02 -1.08790e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98292e+03 1.16818e+05 5.65488e+05 -4.06927e+06 1.00789e+04 Potential Pressure (bar) -3.34483e+06 -5.11098e+03 Step Time 2498 2498.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03149e+03 6.05200e+03 1.98446e+04 2.46501e+02 -1.08783e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98135e+03 1.16821e+05 5.65505e+05 -4.06931e+06 1.00783e+04 Potential Pressure (bar) -3.34484e+06 -5.11222e+03 Step Time 2499 2499.00000 Step Time 2500 2500.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99382e+03 6.04376e+03 1.98447e+04 2.46520e+02 -1.08788e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98221e+03 1.16819e+05 5.65515e+05 -4.06932e+06 1.00781e+04 Potential Pressure (bar) -3.34489e+06 -5.11101e+03 Step Time 2501 2501.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05052e+03 6.05524e+03 1.98446e+04 2.46444e+02 -1.08786e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98076e+03 1.16820e+05 5.65631e+05 -4.06957e+06 1.00753e+04 Potential Pressure (bar) -3.34495e+06 -5.11066e+03 Step Time 2502 2502.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99756e+03 6.04410e+03 1.98447e+04 2.46475e+02 -1.08793e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98202e+03 1.16817e+05 5.65642e+05 -4.06958e+06 1.00751e+04 Potential Pressure (bar) -3.34502e+06 -5.10898e+03 Step Time 2503 2503.00000 Step Time 2504 2504.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00821e+03 6.04759e+03 1.98446e+04 2.46439e+02 -1.08789e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98117e+03 1.16818e+05 5.65665e+05 -4.06963e+06 1.00745e+04 Potential Pressure (bar) -3.34503e+06 -5.10937e+03 Step Time 2505 2505.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00340e+03 6.04470e+03 1.98447e+04 2.46463e+02 -1.08795e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98207e+03 1.16816e+05 5.65681e+05 -4.06966e+06 1.00743e+04 Potential Pressure (bar) -3.34505e+06 -5.10828e+03 Step Time 2506 2506.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02020e+03 6.05014e+03 1.98446e+04 2.46422e+02 -1.08789e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98087e+03 1.16818e+05 5.65702e+05 -4.06970e+06 1.00736e+04 Potential Pressure (bar) -3.34505e+06 -5.10910e+03 Step Time 2507 2507.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01643e+03 6.04612e+03 1.98447e+04 2.46459e+02 -1.08797e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98220e+03 1.16815e+05 5.65719e+05 -4.06973e+06 1.00735e+04 Potential Pressure (bar) -3.34507e+06 -5.10763e+03 Step Time 2508 2508.00000 Step Time 2509 2509.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99560e+03 6.04507e+03 1.98447e+04 2.46426e+02 -1.08793e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98133e+03 1.16817e+05 5.65728e+05 -4.06975e+06 1.00731e+04 Potential Pressure (bar) -3.34511e+06 -5.10808e+03 Step Time 2510 2510.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02914e+03 6.04777e+03 1.98447e+04 2.46428e+02 -1.08799e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98213e+03 1.16814e+05 5.65788e+05 -4.06987e+06 1.00719e+04 Potential Pressure (bar) -3.34513e+06 -5.10651e+03 Step Time 2511 2511.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00121e+03 6.04657e+03 1.98446e+04 2.46387e+02 -1.08793e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98090e+03 1.16816e+05 5.65798e+05 -4.06990e+06 1.00715e+04 Potential Pressure (bar) -3.34518e+06 -5.10726e+03 Step Time 2512 2512.00000 Step Time 2513 2513.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00057e+03 6.04483e+03 1.98447e+04 2.46403e+02 -1.08798e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98156e+03 1.16815e+05 5.65816e+05 -4.06993e+06 1.00711e+04 Potential Pressure (bar) -3.34520e+06 -5.10634e+03 Step Time 2514 2514.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00761e+03 6.04801e+03 1.98446e+04 2.46371e+02 -1.08794e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98065e+03 1.16816e+05 5.65835e+05 -4.06997e+06 1.00707e+04 Potential Pressure (bar) -3.34521e+06 -5.10690e+03 Step Time 2515 2515.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00824e+03 6.04564e+03 1.98447e+04 2.46392e+02 -1.08799e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98163e+03 1.16814e+05 5.65853e+05 -4.07000e+06 1.00703e+04 Potential Pressure (bar) -3.34523e+06 -5.10571e+03 Step Time 2516 2516.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02028e+03 6.05068e+03 1.98446e+04 2.46350e+02 -1.08793e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98035e+03 1.16816e+05 5.65871e+05 -4.07004e+06 1.00698e+04 Potential Pressure (bar) -3.34523e+06 -5.10661e+03 Step Time 2517 2517.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02468e+03 6.04751e+03 1.98447e+04 2.46385e+02 -1.08801e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98178e+03 1.16813e+05 5.65890e+05 -4.07007e+06 1.00696e+04 Potential Pressure (bar) -3.34524e+06 -5.10505e+03 Step Time 2518 2518.00000 Step Time 2519 2519.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99537e+03 6.04536e+03 1.98447e+04 2.46355e+02 -1.08797e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98084e+03 1.16815e+05 5.65898e+05 -4.07009e+06 1.00692e+04 Potential Pressure (bar) -3.34529e+06 -5.10551e+03 Step Time 2520 2520.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03996e+03 6.04969e+03 1.98448e+04 2.46350e+02 -1.08805e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98162e+03 1.16812e+05 5.65992e+05 -4.07028e+06 1.00673e+04 Potential Pressure (bar) -3.34533e+06 -5.10348e+03 Step Time 2521 2521.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00074e+03 6.04689e+03 1.98447e+04 2.46307e+02 -1.08799e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98029e+03 1.16814e+05 5.66002e+05 -4.07030e+06 1.00668e+04 Potential Pressure (bar) -3.34539e+06 -5.10422e+03 Step Time 2522 2522.00000 Step Time 2523 2523.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00423e+03 6.04573e+03 1.98447e+04 2.46321e+02 -1.08803e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98101e+03 1.16812e+05 5.66022e+05 -4.07034e+06 1.00664e+04 Potential Pressure (bar) -3.34540e+06 -5.10326e+03 Step Time 2524 2524.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00721e+03 6.04838e+03 1.98447e+04 2.46288e+02 -1.08799e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98004e+03 1.16814e+05 5.66038e+05 -4.07037e+06 1.00659e+04 Potential Pressure (bar) -3.34542e+06 -5.10387e+03 Step Time 2525 2525.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01411e+03 6.04682e+03 1.98448e+04 2.46309e+02 -1.08805e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98109e+03 1.16811e+05 5.66059e+05 -4.07041e+06 1.00657e+04 Potential Pressure (bar) -3.34543e+06 -5.10259e+03 Step Time 2526 2526.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02050e+03 6.05119e+03 1.98447e+04 2.46271e+02 -1.08799e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97972e+03 1.16814e+05 5.66075e+05 -4.07045e+06 1.00651e+04 Potential Pressure (bar) -3.34544e+06 -5.10361e+03 Step Time 2527 2527.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03458e+03 6.04920e+03 1.98448e+04 2.46303e+02 -1.08806e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98125e+03 1.16811e+05 5.66095e+05 -4.07048e+06 1.00649e+04 Potential Pressure (bar) -3.34544e+06 -5.10195e+03 Step Time 2528 2528.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04780e+03 6.05677e+03 1.98447e+04 2.46248e+02 -1.08798e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97931e+03 1.16814e+05 5.66112e+05 -4.07053e+06 1.00643e+04 Potential Pressure (bar) -3.34545e+06 -5.10353e+03 Step Time 2529 2529.00000 Step Time 2530 2530.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99586e+03 6.04548e+03 1.98448e+04 2.46267e+02 -1.08803e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98038e+03 1.16812e+05 5.66121e+05 -4.07054e+06 1.00642e+04 Potential Pressure (bar) -3.34552e+06 -5.10203e+03 Step Time 2531 2531.00000 Step Time 2532 2532.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01174e+03 6.04946e+03 1.98447e+04 2.46233e+02 -1.08801e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97958e+03 1.16813e+05 5.66160e+05 -4.07062e+06 1.00632e+04 Potential Pressure (bar) -3.34554e+06 -5.10217e+03 Step Time 2533 2533.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99846e+03 6.04565e+03 1.98448e+04 2.46250e+02 -1.08805e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98034e+03 1.16811e+05 5.66173e+05 -4.07064e+06 1.00630e+04 Potential Pressure (bar) -3.34556e+06 -5.10116e+03 Step Time 2534 2534.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02279e+03 6.05179e+03 1.98447e+04 2.46210e+02 -1.08801e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97929e+03 1.16812e+05 5.66202e+05 -4.07070e+06 1.00622e+04 Potential Pressure (bar) -3.34557e+06 -5.10175e+03 Step Time 2535 2535.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00562e+03 6.04636e+03 1.98448e+04 2.46240e+02 -1.08807e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98041e+03 1.16810e+05 5.66216e+05 -4.07072e+06 1.00620e+04 Potential Pressure (bar) -3.34560e+06 -5.10035e+03 Step Time 2536 2536.00000 Step Time 2537 2537.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99895e+03 6.04703e+03 1.98448e+04 2.46213e+02 -1.08804e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97966e+03 1.16811e+05 5.66228e+05 -4.07075e+06 1.00616e+04 Potential Pressure (bar) -3.34562e+06 -5.10080e+03 Step Time 2538 2538.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01326e+03 6.04726e+03 1.98448e+04 2.46224e+02 -1.08808e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.98042e+03 1.16809e+05 5.66258e+05 -4.07080e+06 1.00611e+04 Potential Pressure (bar) -3.34563e+06 -5.09968e+03 Step Time 2539 2539.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00511e+03 6.04852e+03 1.98448e+04 2.46188e+02 -1.08803e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97936e+03 1.16811e+05 5.66271e+05 -4.07084e+06 1.00606e+04 Potential Pressure (bar) -3.34566e+06 -5.10037e+03 Step Time 2540 2540.00000 Step Time 2541 2541.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99722e+03 6.04589e+03 1.98448e+04 2.46203e+02 -1.08807e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97993e+03 1.16810e+05 5.66284e+05 -4.07086e+06 1.00605e+04 Potential Pressure (bar) -3.34568e+06 -5.09955e+03 Step Time 2542 2542.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01143e+03 6.04988e+03 1.98448e+04 2.46171e+02 -1.08803e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97911e+03 1.16811e+05 5.66312e+05 -4.07092e+06 1.00597e+04 Potential Pressure (bar) -3.34570e+06 -5.09989e+03 Step Time 2543 2543.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00110e+03 6.04626e+03 1.98448e+04 2.46194e+02 -1.08808e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97994e+03 1.16809e+05 5.66326e+05 -4.07095e+06 1.00595e+04 Potential Pressure (bar) -3.34572e+06 -5.09881e+03 Step Time 2544 2544.00000 Step Time 2545 2545.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99784e+03 6.04700e+03 1.98448e+04 2.46172e+02 -1.08806e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97938e+03 1.16810e+05 5.66338e+05 -4.07097e+06 1.00591e+04 Potential Pressure (bar) -3.34574e+06 -5.09909e+03 Step Time 2546 2546.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00527e+03 6.04674e+03 1.98448e+04 2.46177e+02 -1.08810e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97992e+03 1.16808e+05 5.66369e+05 -4.07103e+06 1.00586e+04 Potential Pressure (bar) -3.34576e+06 -5.09814e+03 Step Time 2547 2547.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00144e+03 6.04796e+03 1.98448e+04 2.46148e+02 -1.08806e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97912e+03 1.16810e+05 5.66382e+05 -4.07106e+06 1.00581e+04 Potential Pressure (bar) -3.34578e+06 -5.09862e+03 Step Time 2548 2548.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01334e+03 6.04769e+03 1.98449e+04 2.46165e+02 -1.08812e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97996e+03 1.16808e+05 5.66406e+05 -4.07110e+06 1.00578e+04 Potential Pressure (bar) -3.34579e+06 -5.09750e+03 Step Time 2549 2549.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00940e+03 6.04979e+03 1.98448e+04 2.46128e+02 -1.08806e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97882e+03 1.16809e+05 5.66421e+05 -4.07113e+06 1.00573e+04 Potential Pressure (bar) -3.34581e+06 -5.09825e+03 Step Time 2550 2550.00000 Step Time 2551 2551.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99698e+03 6.04633e+03 1.98449e+04 2.46141e+02 -1.08810e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97944e+03 1.16808e+05 5.66432e+05 -4.07115e+06 1.00571e+04 Potential Pressure (bar) -3.34583e+06 -5.09741e+03 Step Time 2552 2552.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01737e+03 6.05146e+03 1.98448e+04 2.46107e+02 -1.08806e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97853e+03 1.16809e+05 5.66470e+05 -4.07123e+06 1.00561e+04 Potential Pressure (bar) -3.34585e+06 -5.09771e+03 Step Time 2553 2553.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00068e+03 6.04665e+03 1.98449e+04 2.46126e+02 -1.08811e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97944e+03 1.16807e+05 5.66482e+05 -4.07125e+06 1.00559e+04 Potential Pressure (bar) -3.34588e+06 -5.09652e+03 Step Time 2554 2554.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03165e+03 6.05438e+03 1.98448e+04 2.46087e+02 -1.08806e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97823e+03 1.16809e+05 5.66510e+05 -4.07132e+06 1.00553e+04 Potential Pressure (bar) -3.34588e+06 -5.09736e+03 Step Time 2555 2555.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01057e+03 6.04768e+03 1.98449e+04 2.46118e+02 -1.08814e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97954e+03 1.16806e+05 5.66525e+05 -4.07134e+06 1.00551e+04 Potential Pressure (bar) -3.34591e+06 -5.09576e+03 Step Time 2556 2556.00000 Step Time 2557 2557.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00046e+03 6.04817e+03 1.98449e+04 2.46087e+02 -1.08809e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97867e+03 1.16808e+05 5.66536e+05 -4.07137e+06 1.00547e+04 Potential Pressure (bar) -3.34594e+06 -5.09627e+03 Step Time 2558 2558.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02099e+03 6.04891e+03 1.98450e+04 2.46102e+02 -1.08815e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97957e+03 1.16805e+05 5.66567e+05 -4.07142e+06 1.00542e+04 Potential Pressure (bar) -3.34594e+06 -5.09503e+03 Step Time 2559 2559.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00837e+03 6.05003e+03 1.98449e+04 2.46065e+02 -1.08809e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97834e+03 1.16807e+05 5.66579e+05 -4.07146e+06 1.00537e+04 Potential Pressure (bar) -3.34598e+06 -5.09584e+03 Step Time 2560 2560.00000 Step Time 2561 2561.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99882e+03 6.04685e+03 1.98449e+04 2.46077e+02 -1.08813e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97901e+03 1.16806e+05 5.66593e+05 -4.07148e+06 1.00535e+04 Potential Pressure (bar) -3.34600e+06 -5.09494e+03 Step Time 2562 2562.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01659e+03 6.05177e+03 1.98449e+04 2.46043e+02 -1.08809e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97808e+03 1.16807e+05 5.66620e+05 -4.07154e+06 1.00527e+04 Potential Pressure (bar) -3.34601e+06 -5.09545e+03 Step Time 2563 2563.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00421e+03 6.04736e+03 1.98450e+04 2.46067e+02 -1.08815e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97905e+03 1.16805e+05 5.66634e+05 -4.07156e+06 1.00526e+04 Potential Pressure (bar) -3.34603e+06 -5.09423e+03 Step Time 2564 2564.00000 Step Time 2565 2565.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99897e+03 6.04805e+03 1.98449e+04 2.46041e+02 -1.08812e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97840e+03 1.16806e+05 5.66646e+05 -4.07159e+06 1.00522e+04 Potential Pressure (bar) -3.34605e+06 -5.09458e+03 Step Time 2566 2566.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00995e+03 6.04805e+03 1.98450e+04 2.46050e+02 -1.08816e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97904e+03 1.16804e+05 5.66677e+05 -4.07164e+06 1.00516e+04 Potential Pressure (bar) -3.34607e+06 -5.09353e+03 Step Time 2567 2567.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00354e+03 6.04924e+03 1.98449e+04 2.46022e+02 -1.08812e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97812e+03 1.16806e+05 5.66690e+05 -4.07167e+06 1.00513e+04 Potential Pressure (bar) -3.34609e+06 -5.09408e+03 Step Time 2568 2568.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02096e+03 6.04931e+03 1.98450e+04 2.46038e+02 -1.08817e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97911e+03 1.16804e+05 5.66716e+05 -4.07172e+06 1.00508e+04 Potential Pressure (bar) -3.34610e+06 -5.09285e+03 Step Time 2569 2569.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01380e+03 6.05153e+03 1.98450e+04 2.46001e+02 -1.08812e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97779e+03 1.16806e+05 5.66729e+05 -4.07176e+06 1.00504e+04 Potential Pressure (bar) -3.34612e+06 -5.09377e+03 Step Time 2570 2570.00000 Step Time 2571 2571.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99836e+03 6.04727e+03 1.98450e+04 2.46014e+02 -1.08815e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97850e+03 1.16804e+05 5.66740e+05 -4.07177e+06 1.00501e+04 Potential Pressure (bar) -3.34615e+06 -5.09281e+03 Step Time 2572 2572.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02413e+03 6.05362e+03 1.98450e+04 2.45980e+02 -1.08811e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97750e+03 1.16806e+05 5.66776e+05 -4.07185e+06 1.00493e+04 Potential Pressure (bar) -3.34616e+06 -5.09325e+03 Step Time 2573 2573.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00351e+03 6.04773e+03 1.98451e+04 2.45999e+02 -1.08817e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97855e+03 1.16803e+05 5.66789e+05 -4.07187e+06 1.00491e+04 Potential Pressure (bar) -3.34619e+06 -5.09196e+03 Step Time 2574 2574.00000 Step Time 2575 2575.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00129e+03 6.04898e+03 1.98450e+04 2.45974e+02 -1.08814e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97784e+03 1.16804e+05 5.66803e+05 -4.07190e+06 1.00487e+04 Potential Pressure (bar) -3.34621e+06 -5.09235e+03 Step Time 2576 2576.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00937e+03 6.04839e+03 1.98451e+04 2.45986e+02 -1.08818e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97856e+03 1.16803e+05 5.66827e+05 -4.07194e+06 1.00483e+04 Potential Pressure (bar) -3.34622e+06 -5.09133e+03 Step Time 2577 2577.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00742e+03 6.05043e+03 1.98451e+04 2.45955e+02 -1.08814e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97757e+03 1.16804e+05 5.66841e+05 -4.07198e+06 1.00478e+04 Potential Pressure (bar) -3.34624e+06 -5.09196e+03 Step Time 2578 2578.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02098e+03 6.04972e+03 1.98451e+04 2.45980e+02 -1.08820e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97864e+03 1.16802e+05 5.66863e+05 -4.07201e+06 1.00476e+04 Potential Pressure (bar) -3.34625e+06 -5.09068e+03 Step Time 2579 2579.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02052e+03 6.05327e+03 1.98451e+04 2.45936e+02 -1.08813e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97723e+03 1.16804e+05 5.66878e+05 -4.07205e+06 1.00470e+04 Potential Pressure (bar) -3.34627e+06 -5.09170e+03 Step Time 2580 2580.00000 Step Time 2581 2581.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99800e+03 6.04772e+03 1.98451e+04 2.45952e+02 -1.08817e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97800e+03 1.16803e+05 5.66888e+05 -4.07206e+06 1.00469e+04 Potential Pressure (bar) -3.34630e+06 -5.09066e+03 Step Time 2582 2582.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03348e+03 6.05580e+03 1.98451e+04 2.45909e+02 -1.08814e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97689e+03 1.16804e+05 5.66936e+05 -4.07217e+06 1.00457e+04 Potential Pressure (bar) -3.34631e+06 -5.09105e+03 Step Time 2583 2583.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00283e+03 6.04813e+03 1.98452e+04 2.45934e+02 -1.08819e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97801e+03 1.16802e+05 5.66948e+05 -4.07218e+06 1.00456e+04 Potential Pressure (bar) -3.34636e+06 -5.08961e+03 Step Time 2584 2584.00000 Step Time 2585 2585.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00439e+03 6.05010e+03 1.98451e+04 2.45909e+02 -1.08816e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97725e+03 1.16803e+05 5.66964e+05 -4.07222e+06 1.00451e+04 Potential Pressure (bar) -3.34637e+06 -5.09002e+03 Step Time 2586 2586.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00876e+03 6.04877e+03 1.98452e+04 2.45926e+02 -1.08821e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97804e+03 1.16801e+05 5.66983e+05 -4.07225e+06 1.00448e+04 Potential Pressure (bar) -3.34638e+06 -5.08898e+03 Step Time 2587 2587.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01243e+03 6.05190e+03 1.98452e+04 2.45893e+02 -1.08816e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97697e+03 1.16803e+05 5.66999e+05 -4.07229e+06 1.00443e+04 Potential Pressure (bar) -3.34640e+06 -5.08973e+03 Step Time 2588 2588.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02103e+03 6.05014e+03 1.98452e+04 2.45919e+02 -1.08822e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97815e+03 1.16800e+05 5.67018e+05 -4.07232e+06 1.00440e+04 Potential Pressure (bar) -3.34641e+06 -5.08835e+03 Step Time 2589 2589.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02891e+03 6.05534e+03 1.98452e+04 2.45873e+02 -1.08815e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97663e+03 1.16803e+05 5.67034e+05 -4.07236e+06 1.00435e+04 Potential Pressure (bar) -3.34642e+06 -5.08948e+03 Step Time 2590 2590.00000 Step Time 2591 2591.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99784e+03 6.04823e+03 1.98452e+04 2.45887e+02 -1.08820e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97746e+03 1.16801e+05 5.67044e+05 -4.07238e+06 1.00434e+04 Potential Pressure (bar) -3.34646e+06 -5.08833e+03 Step Time 2592 2592.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04519e+03 6.05831e+03 1.98452e+04 2.45836e+02 -1.08816e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97621e+03 1.16802e+05 5.67116e+05 -4.07252e+06 1.00417e+04 Potential Pressure (bar) -3.34648e+06 -5.08856e+03 Step Time 2593 2593.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00218e+03 6.04860e+03 1.98453e+04 2.45860e+02 -1.08822e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97740e+03 1.16799e+05 5.67127e+05 -4.07254e+06 1.00416e+04 Potential Pressure (bar) -3.34654e+06 -5.08697e+03 Step Time 2594 2594.00000 Step Time 2595 2595.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00853e+03 6.05138e+03 1.98453e+04 2.45831e+02 -1.08819e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97659e+03 1.16801e+05 5.67145e+05 -4.07258e+06 1.00411e+04 Potential Pressure (bar) -3.34655e+06 -5.08742e+03 Step Time 2596 2596.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00820e+03 6.04923e+03 1.98453e+04 2.45848e+02 -1.08823e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97744e+03 1.16799e+05 5.67162e+05 -4.07261e+06 1.00409e+04 Potential Pressure (bar) -3.34657e+06 -5.08632e+03 Step Time 2597 2597.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01883e+03 6.05360e+03 1.98453e+04 2.45810e+02 -1.08818e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97630e+03 1.16801e+05 5.67180e+05 -4.07265e+06 1.00402e+04 Potential Pressure (bar) -3.34658e+06 -5.08712e+03 Step Time 2598 2598.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02111e+03 6.05067e+03 1.98454e+04 2.45842e+02 -1.08826e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97757e+03 1.16798e+05 5.67198e+05 -4.07268e+06 1.00402e+04 Potential Pressure (bar) -3.34659e+06 -5.08569e+03 Step Time 2599 2599.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03936e+03 6.05781e+03 1.98453e+04 2.45791e+02 -1.08817e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97595e+03 1.16801e+05 5.67215e+05 -4.07272e+06 1.00395e+04 Potential Pressure (bar) -3.34659e+06 -5.08694e+03 Step Time 2600 2600.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04878e+03 6.05386e+03 1.98454e+04 2.45839e+02 -1.08828e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97781e+03 1.16797e+05 5.67234e+05 -4.07275e+06 1.00394e+04 Potential Pressure (bar) -3.34660e+06 -5.08504e+03 Step Time 2601 2601.00000 Step Time 2602 2602.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99895e+03 6.04956e+03 1.98454e+04 2.45799e+02 -1.08822e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97660e+03 1.16799e+05 5.67242e+05 -4.07277e+06 1.00390e+04 Potential Pressure (bar) -3.34667e+06 -5.08565e+03 Step Time 2603 2603.00000 Step Time 2604 2604.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01267e+03 6.05010e+03 1.98455e+04 2.45802e+02 -1.08826e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97713e+03 1.16797e+05 5.67288e+05 -4.07286e+06 1.00380e+04 Potential Pressure (bar) -3.34669e+06 -5.08446e+03 Step Time 2605 2605.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00225e+03 6.05044e+03 1.98454e+04 2.45771e+02 -1.08822e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97627e+03 1.16798e+05 5.67299e+05 -4.07288e+06 1.00377e+04 Potential Pressure (bar) -3.34672e+06 -5.08496e+03 Step Time 2606 2606.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02303e+03 6.05134e+03 1.98455e+04 2.45790e+02 -1.08827e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97718e+03 1.16796e+05 5.67329e+05 -4.07294e+06 1.00372e+04 Potential Pressure (bar) -3.34672e+06 -5.08373e+03 Step Time 2607 2607.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01000e+03 6.05230e+03 1.98454e+04 2.45752e+02 -1.08822e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97595e+03 1.16798e+05 5.67342e+05 -4.07296e+06 1.00368e+04 Potential Pressure (bar) -3.34675e+06 -5.08452e+03 Step Time 2608 2608.00000 Step Time 2609 2609.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00073e+03 6.04919e+03 1.98455e+04 2.45765e+02 -1.08825e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97661e+03 1.16797e+05 5.67354e+05 -4.07298e+06 1.00365e+04 Potential Pressure (bar) -3.34677e+06 -5.08364e+03 Step Time 2610 2610.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01806e+03 6.05399e+03 1.98455e+04 2.45730e+02 -1.08822e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97569e+03 1.16798e+05 5.67381e+05 -4.07305e+06 1.00359e+04 Potential Pressure (bar) -3.34678e+06 -5.08415e+03 Step Time 2611 2611.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00616e+03 6.04971e+03 1.98455e+04 2.45753e+02 -1.08826e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97666e+03 1.16796e+05 5.67395e+05 -4.07307e+06 1.00357e+04 Potential Pressure (bar) -3.34680e+06 -5.08294e+03 Step Time 2612 2612.00000 Step Time 2613 2613.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00072e+03 6.05034e+03 1.98455e+04 2.45732e+02 -1.08824e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97601e+03 1.16797e+05 5.67406e+05 -4.07309e+06 1.00353e+04 Potential Pressure (bar) -3.34682e+06 -5.08328e+03 Step Time 2614 2614.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01188e+03 6.05039e+03 1.98456e+04 2.45740e+02 -1.08828e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97665e+03 1.16795e+05 5.67437e+05 -4.07315e+06 1.00348e+04 Potential Pressure (bar) -3.34684e+06 -5.08221e+03 Step Time 2615 2615.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00520e+03 6.05150e+03 1.98455e+04 2.45709e+02 -1.08824e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97573e+03 1.16797e+05 5.67449e+05 -4.07318e+06 1.00344e+04 Potential Pressure (bar) -3.34686e+06 -5.08281e+03 Step Time 2616 2616.00000 Step Time 2617 2617.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 1.99976e+03 6.04946e+03 1.98456e+04 2.45720e+02 -1.08827e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97621e+03 1.16796e+05 5.67461e+05 -4.07320e+06 1.00341e+04 Potential Pressure (bar) -3.34688e+06 -5.08211e+03 Step Time 2618 2618.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00981e+03 6.05257e+03 1.98456e+04 2.45688e+02 -1.08824e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97550e+03 1.16797e+05 5.67488e+05 -4.07326e+06 1.00336e+04 Potential Pressure (bar) -3.34690e+06 -5.08237e+03 Step Time 2619 2619.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00274e+03 6.04972e+03 1.98456e+04 2.45704e+02 -1.08828e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97622e+03 1.16795e+05 5.67502e+05 -4.07327e+06 1.00333e+04 Potential Pressure (bar) -3.34691e+06 -5.08143e+03 Step Time 2620 2620.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01832e+03 6.05438e+03 1.98456e+04 2.45671e+02 -1.08823e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97524e+03 1.16796e+05 5.67525e+05 -4.07333e+06 1.00327e+04 Potential Pressure (bar) -3.34693e+06 -5.08200e+03 Step Time 2621 2621.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00991e+03 6.05048e+03 1.98457e+04 2.45695e+02 -1.08829e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97628e+03 1.16794e+05 5.67540e+05 -4.07336e+06 1.00326e+04 Potential Pressure (bar) -3.34695e+06 -5.08074e+03 Step Time 2622 2622.00000 Step Time 2623 2623.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00042e+03 6.05060e+03 1.98456e+04 2.45673e+02 -1.08826e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97559e+03 1.16795e+05 5.67550e+05 -4.07338e+06 1.00322e+04 Potential Pressure (bar) -3.34697e+06 -5.08113e+03 Step Time 2624 2624.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01717e+03 6.05135e+03 1.98457e+04 2.45680e+02 -1.08830e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97627e+03 1.16793e+05 5.67590e+05 -4.07345e+06 1.00314e+04 Potential Pressure (bar) -3.34699e+06 -5.07990e+03 Step Time 2625 2625.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00482e+03 6.05180e+03 1.98457e+04 2.45652e+02 -1.08826e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97527e+03 1.16795e+05 5.67600e+05 -4.07348e+06 1.00311e+04 Potential Pressure (bar) -3.34702e+06 -5.08052e+03 Step Time 2626 2626.00000 Step Time 2627 2627.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00132e+03 6.04997e+03 1.98457e+04 2.45657e+02 -1.08829e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97579e+03 1.16794e+05 5.67615e+05 -4.07350e+06 1.00308e+04 Potential Pressure (bar) -3.34704e+06 -5.07976e+03 Step Time 2628 2628.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00956e+03 6.05289e+03 1.98457e+04 2.45633e+02 -1.08826e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97504e+03 1.16795e+05 5.67636e+05 -4.07355e+06 1.00303e+04 Potential Pressure (bar) -3.34705e+06 -5.08013e+03 Step Time 2629 2629.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00541e+03 6.05036e+03 1.98458e+04 2.45647e+02 -1.08830e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97582e+03 1.16793e+05 5.67652e+05 -4.07358e+06 1.00301e+04 Potential Pressure (bar) -3.34707e+06 -5.07912e+03 Step Time 2630 2630.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01856e+03 6.05482e+03 1.98457e+04 2.45615e+02 -1.08826e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97478e+03 1.16795e+05 5.67672e+05 -4.07362e+06 1.00296e+04 Potential Pressure (bar) -3.34708e+06 -5.07978e+03 Step Time 2631 2631.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01470e+03 6.05136e+03 1.98458e+04 2.45635e+02 -1.08832e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97591e+03 1.16792e+05 5.67688e+05 -4.07365e+06 1.00293e+04 Potential Pressure (bar) -3.34710e+06 -5.07845e+03 Step Time 2632 2632.00000 Step Time 2633 2633.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00017e+03 6.05088e+03 1.98458e+04 2.45611e+02 -1.08829e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97516e+03 1.16794e+05 5.67697e+05 -4.07367e+06 1.00290e+04 Potential Pressure (bar) -3.34712e+06 -5.07884e+03 Step Time 2634 2634.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02375e+03 6.05255e+03 1.98459e+04 2.45620e+02 -1.08833e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97585e+03 1.16791e+05 5.67750e+05 -4.07377e+06 1.00280e+04 Potential Pressure (bar) -3.34714e+06 -5.07746e+03 Step Time 2635 2635.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00446e+03 6.05210e+03 1.98458e+04 2.45585e+02 -1.08828e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97479e+03 1.16793e+05 5.67761e+05 -4.07380e+06 1.00276e+04 Potential Pressure (bar) -3.34718e+06 -5.07812e+03 Step Time 2636 2636.00000 Step Time 2637 2637.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00339e+03 6.05056e+03 1.98459e+04 2.45596e+02 -1.08832e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97535e+03 1.16792e+05 5.67777e+05 -4.07382e+06 1.00273e+04 Potential Pressure (bar) -3.34719e+06 -5.07729e+03 Step Time 2638 2638.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00929e+03 6.05323e+03 1.98459e+04 2.45567e+02 -1.08829e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97456e+03 1.16793e+05 5.67795e+05 -4.07386e+06 1.00269e+04 Potential Pressure (bar) -3.34721e+06 -5.07773e+03 Step Time 2639 2639.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00883e+03 6.05114e+03 1.98459e+04 2.45582e+02 -1.08833e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97539e+03 1.16791e+05 5.67812e+05 -4.07389e+06 1.00266e+04 Potential Pressure (bar) -3.34722e+06 -5.07669e+03 Step Time 2640 2640.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01879e+03 6.05527e+03 1.98459e+04 2.45549e+02 -1.08828e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97429e+03 1.16793e+05 5.67830e+05 -4.07393e+06 1.00261e+04 Potential Pressure (bar) -3.34723e+06 -5.07744e+03 Step Time 2641 2641.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02060e+03 6.05245e+03 1.98460e+04 2.45575e+02 -1.08834e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97549e+03 1.16790e+05 5.67847e+05 -4.07396e+06 1.00259e+04 Potential Pressure (bar) -3.34724e+06 -5.07603e+03 Step Time 2642 2642.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03767e+03 6.05914e+03 1.98459e+04 2.45529e+02 -1.08828e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97395e+03 1.16793e+05 5.67864e+05 -4.07400e+06 1.00254e+04 Potential Pressure (bar) -3.34724e+06 -5.07727e+03 Step Time 2643 2643.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04584e+03 6.05536e+03 1.98460e+04 2.45569e+02 -1.08836e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97571e+03 1.16789e+05 5.67882e+05 -4.07403e+06 1.00252e+04 Potential Pressure (bar) -3.34725e+06 -5.07537e+03 Step Time 2644 2644.00000 Step Time 2645 2645.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00047e+03 6.05149e+03 1.98460e+04 2.45533e+02 -1.08832e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97457e+03 1.16791e+05 5.67889e+05 -4.07405e+06 1.00249e+04 Potential Pressure (bar) -3.34732e+06 -5.07599e+03 Step Time 2646 2646.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06929e+03 6.05869e+03 1.98462e+04 2.45538e+02 -1.08838e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97560e+03 1.16788e+05 5.67979e+05 -4.07422e+06 1.00231e+04 Potential Pressure (bar) -3.34732e+06 -5.07388e+03 Step Time 2647 2647.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00832e+03 6.05348e+03 1.98461e+04 2.45491e+02 -1.08832e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97397e+03 1.16791e+05 5.67988e+05 -4.07425e+06 1.00227e+04 Potential Pressure (bar) -3.34741e+06 -5.07486e+03 Step Time 2648 2648.00000 Step Time 2649 2649.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01432e+03 6.05226e+03 1.98462e+04 2.45505e+02 -1.08836e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97488e+03 1.16789e+05 5.68008e+05 -4.07429e+06 1.00224e+04 Potential Pressure (bar) -3.34742e+06 -5.07368e+03 Step Time 2650 2650.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01787e+03 6.05560e+03 1.98461e+04 2.45470e+02 -1.08832e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97371e+03 1.16791e+05 5.68023e+05 -4.07432e+06 1.00220e+04 Potential Pressure (bar) -3.34744e+06 -5.07450e+03 Step Time 2651 2651.00000 Step Time 2652 2652.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00015e+03 6.05123e+03 1.98462e+04 2.45481e+02 -1.08835e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97434e+03 1.16789e+05 5.68032e+05 -4.07434e+06 1.00218e+04 Potential Pressure (bar) -3.34746e+06 -5.07363e+03 Step Time 2653 2653.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02719e+03 6.05738e+03 1.98462e+04 2.45438e+02 -1.08832e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97336e+03 1.16790e+05 5.68092e+05 -4.07445e+06 1.00205e+04 Potential Pressure (bar) -3.34749e+06 -5.07368e+03 Step Time 2654 2654.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00294e+03 6.05147e+03 1.98462e+04 2.45458e+02 -1.08837e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97428e+03 1.16788e+05 5.68102e+05 -4.07447e+06 1.00203e+04 Potential Pressure (bar) -3.34753e+06 -5.07246e+03 Step Time 2655 2655.00000 Step Time 2656 2656.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00607e+03 6.05326e+03 1.98462e+04 2.45435e+02 -1.08834e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97365e+03 1.16789e+05 5.68119e+05 -4.07450e+06 1.00199e+04 Potential Pressure (bar) -3.34754e+06 -5.07277e+03 Step Time 2657 2657.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00660e+03 6.05183e+03 1.98463e+04 2.45449e+02 -1.08838e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97430e+03 1.16787e+05 5.68136e+05 -4.07454e+06 1.00197e+04 Potential Pressure (bar) -3.34756e+06 -5.07187e+03 Step Time 2658 2658.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01204e+03 6.05463e+03 1.98463e+04 2.45415e+02 -1.08834e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97340e+03 1.16789e+05 5.68153e+05 -4.07458e+06 1.00192e+04 Potential Pressure (bar) -3.34757e+06 -5.07244e+03 Step Time 2659 2659.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01437e+03 6.05269e+03 1.98463e+04 2.45439e+02 -1.08839e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97436e+03 1.16787e+05 5.68170e+05 -4.07461e+06 1.00188e+04 Potential Pressure (bar) -3.34759e+06 -5.07123e+03 Step Time 2660 2660.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02404e+03 6.05715e+03 1.98463e+04 2.45396e+02 -1.08834e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97310e+03 1.16789e+05 5.68187e+05 -4.07464e+06 1.00185e+04 Potential Pressure (bar) -3.34759e+06 -5.07216e+03 Step Time 2661 2661.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03084e+03 6.05455e+03 1.98464e+04 2.45435e+02 -1.08841e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97452e+03 1.16786e+05 5.68206e+05 -4.07467e+06 1.00182e+04 Potential Pressure (bar) -3.34760e+06 -5.07060e+03 Step Time 2662 2662.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04821e+03 6.06207e+03 1.98463e+04 2.45379e+02 -1.08833e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97273e+03 1.16789e+05 5.68221e+05 -4.07471e+06 1.00178e+04 Potential Pressure (bar) -3.34760e+06 -5.07206e+03 Step Time 2663 2663.00000 Step Time 2664 2664.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00060e+03 6.05183e+03 1.98464e+04 2.45403e+02 -1.08838e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97372e+03 1.16787e+05 5.68230e+05 -4.07472e+06 1.00176e+04 Potential Pressure (bar) -3.34766e+06 -5.07067e+03 Step Time 2665 2665.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07231e+03 6.06608e+03 1.98464e+04 2.45329e+02 -1.08833e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97220e+03 1.16788e+05 5.68327e+05 -4.07493e+06 1.00155e+04 Potential Pressure (bar) -3.34769e+06 -5.07087e+03 Step Time 2666 2666.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00570e+03 6.05227e+03 1.98465e+04 2.45367e+02 -1.08841e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97362e+03 1.16785e+05 5.68338e+05 -4.07494e+06 1.00153e+04 Potential Pressure (bar) -3.34777e+06 -5.06890e+03 Step Time 2667 2667.00000 Step Time 2668 2668.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01819e+03 6.05627e+03 1.98465e+04 2.45328e+02 -1.08837e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97267e+03 1.16787e+05 5.68357e+05 -4.07499e+06 1.00148e+04 Potential Pressure (bar) -3.34778e+06 -5.06950e+03 Step Time 2669 2669.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01359e+03 6.05308e+03 1.98466e+04 2.45358e+02 -1.08843e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97372e+03 1.16784e+05 5.68372e+05 -4.07501e+06 1.00146e+04 Potential Pressure (bar) -3.34779e+06 -5.06824e+03 Step Time 2670 2670.00000 Step Time 2671 2671.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00185e+03 6.05287e+03 1.98466e+04 2.45333e+02 -1.08840e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97302e+03 1.16785e+05 5.68382e+05 -4.07503e+06 1.00143e+04 Potential Pressure (bar) -3.34782e+06 -5.06863e+03 Step Time 2672 2672.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02143e+03 6.05408e+03 1.98467e+04 2.45339e+02 -1.08844e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97366e+03 1.16783e+05 5.68431e+05 -4.07512e+06 1.00134e+04 Potential Pressure (bar) -3.34784e+06 -5.06731e+03 Step Time 2673 2673.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00570e+03 6.05400e+03 1.98466e+04 2.45304e+02 -1.08840e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97267e+03 1.16785e+05 5.68441e+05 -4.07515e+06 1.00130e+04 Potential Pressure (bar) -3.34787e+06 -5.06791e+03 Step Time 2674 2674.00000 Step Time 2675 2675.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00424e+03 6.05248e+03 1.98467e+04 2.45315e+02 -1.08843e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97319e+03 1.16784e+05 5.68457e+05 -4.07517e+06 1.00128e+04 Potential Pressure (bar) -3.34789e+06 -5.06715e+03 Step Time 2676 2676.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01000e+03 6.05501e+03 1.98467e+04 2.45289e+02 -1.08840e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97245e+03 1.16785e+05 5.68475e+05 -4.07522e+06 1.00123e+04 Potential Pressure (bar) -3.34790e+06 -5.06753e+03 Step Time 2677 2677.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00880e+03 6.05294e+03 1.98467e+04 2.45307e+02 -1.08845e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97322e+03 1.16783e+05 5.68491e+05 -4.07524e+06 1.00120e+04 Potential Pressure (bar) -3.34792e+06 -5.06656e+03 Step Time 2678 2678.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01836e+03 6.05683e+03 1.98467e+04 2.45271e+02 -1.08840e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97219e+03 1.16785e+05 5.68509e+05 -4.07528e+06 1.00116e+04 Potential Pressure (bar) -3.34792e+06 -5.06724e+03 Step Time 2679 2679.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01876e+03 6.05401e+03 1.98468e+04 2.45302e+02 -1.08847e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97332e+03 1.16782e+05 5.68525e+05 -4.07531e+06 1.00114e+04 Potential Pressure (bar) -3.34794e+06 -5.06588e+03 Step Time 2680 2680.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03491e+03 6.06025e+03 1.98467e+04 2.45252e+02 -1.08840e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97187e+03 1.16785e+05 5.68543e+05 -4.07535e+06 1.00109e+04 Potential Pressure (bar) -3.34794e+06 -5.06703e+03 Step Time 2681 2681.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04022e+03 6.05643e+03 1.98469e+04 2.45294e+02 -1.08849e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97352e+03 1.16782e+05 5.68560e+05 -4.07537e+06 1.00108e+04 Potential Pressure (bar) -3.34795e+06 -5.06528e+03 Step Time 2682 2682.00000 Step Time 2683 2683.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00215e+03 6.05341e+03 1.98468e+04 2.45258e+02 -1.08844e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97245e+03 1.16783e+05 5.68568e+05 -4.07540e+06 1.00104e+04 Potential Pressure (bar) -3.34800e+06 -5.06584e+03 Step Time 2684 2684.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06025e+03 6.05925e+03 1.98470e+04 2.45271e+02 -1.08852e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97343e+03 1.16780e+05 5.68648e+05 -4.07555e+06 1.00089e+04 Potential Pressure (bar) -3.34801e+06 -5.06391e+03 Step Time 2685 2685.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00914e+03 6.05523e+03 1.98469e+04 2.45218e+02 -1.08845e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97191e+03 1.16783e+05 5.68657e+05 -4.07558e+06 1.00085e+04 Potential Pressure (bar) -3.34809e+06 -5.06478e+03 Step Time 2686 2686.00000 Step Time 2687 2687.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01349e+03 6.05387e+03 1.98470e+04 2.45234e+02 -1.08849e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97275e+03 1.16781e+05 5.68677e+05 -4.07561e+06 1.00081e+04 Potential Pressure (bar) -3.34810e+06 -5.06370e+03 Step Time 2688 2688.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01757e+03 6.05711e+03 1.98470e+04 2.45196e+02 -1.08845e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97164e+03 1.16783e+05 5.68692e+05 -4.07565e+06 1.00077e+04 Potential Pressure (bar) -3.34811e+06 -5.06447e+03 Step Time 2689 2689.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02634e+03 6.05532e+03 1.98470e+04 2.45226e+02 -1.08850e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97287e+03 1.16780e+05 5.68710e+05 -4.07567e+06 1.00075e+04 Potential Pressure (bar) -3.34812e+06 -5.06309e+03 Step Time 2690 2690.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03493e+03 6.06071e+03 1.98470e+04 2.45178e+02 -1.08844e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97130e+03 1.16783e+05 5.68725e+05 -4.07571e+06 1.00071e+04 Potential Pressure (bar) -3.34812e+06 -5.06430e+03 Step Time 2691 2691.00000 Step Time 2692 2692.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00197e+03 6.05322e+03 1.98470e+04 2.45195e+02 -1.08848e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97216e+03 1.16781e+05 5.68734e+05 -4.07572e+06 1.00069e+04 Potential Pressure (bar) -3.34817e+06 -5.06312e+03 Step Time 2693 2693.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05207e+03 6.06363e+03 1.98471e+04 2.45144e+02 -1.08845e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97088e+03 1.16782e+05 5.68804e+05 -4.07587e+06 1.00054e+04 Potential Pressure (bar) -3.34819e+06 -5.06341e+03 Step Time 2694 2694.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00650e+03 6.05356e+03 1.98472e+04 2.45174e+02 -1.08851e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97212e+03 1.16780e+05 5.68815e+05 -4.07588e+06 1.00052e+04 Potential Pressure (bar) -3.34825e+06 -5.06177e+03 Step Time 2695 2695.00000 Step Time 2696 2696.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01335e+03 6.05641e+03 1.98471e+04 2.45144e+02 -1.08848e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97129e+03 1.16781e+05 5.68832e+05 -4.07592e+06 1.00048e+04 Potential Pressure (bar) -3.34826e+06 -5.06224e+03 Step Time 2697 2697.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01278e+03 6.05420e+03 1.98472e+04 2.45166e+02 -1.08853e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97219e+03 1.16779e+05 5.68848e+05 -4.07595e+06 1.00045e+04 Potential Pressure (bar) -3.34828e+06 -5.06113e+03 Step Time 2698 2698.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02423e+03 6.05872e+03 1.98472e+04 2.45124e+02 -1.08848e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97101e+03 1.16781e+05 5.68865e+05 -4.07599e+06 1.00041e+04 Potential Pressure (bar) -3.34828e+06 -5.06198e+03 Step Time 2699 2699.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02635e+03 6.05570e+03 1.98473e+04 2.45161e+02 -1.08854e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97232e+03 1.16778e+05 5.68882e+05 -4.07602e+06 1.00039e+04 Potential Pressure (bar) -3.34829e+06 -5.06050e+03 Step Time 2700 2700.00000 Step Time 2701 2701.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00271e+03 6.05414e+03 1.98472e+04 2.45130e+02 -1.08851e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97146e+03 1.16780e+05 5.68890e+05 -4.07604e+06 1.00036e+04 Potential Pressure (bar) -3.34833e+06 -5.06097e+03 Step Time 2702 2702.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03921e+03 6.05757e+03 1.98474e+04 2.45127e+02 -1.08858e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97221e+03 1.16777e+05 5.68967e+05 -4.07618e+06 1.00021e+04 Potential Pressure (bar) -3.34836e+06 -5.05919e+03 Step Time 2703 2703.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00742e+03 6.05548e+03 1.98473e+04 2.45083e+02 -1.08852e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97100e+03 1.16779e+05 5.68976e+05 -4.07621e+06 1.00018e+04 Potential Pressure (bar) -3.34841e+06 -5.05987e+03 Step Time 2704 2704.00000 Step Time 2705 2705.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00965e+03 6.05428e+03 1.98474e+04 2.45101e+02 -1.08855e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97164e+03 1.16778e+05 5.68995e+05 -4.07624e+06 1.00015e+04 Potential Pressure (bar) -3.34842e+06 -5.05899e+03 Step Time 2706 2706.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01303e+03 6.05676e+03 1.98474e+04 2.45071e+02 -1.08852e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97076e+03 1.16779e+05 5.69010e+05 -4.07627e+06 1.00011e+04 Potential Pressure (bar) -3.34844e+06 -5.05957e+03 Step Time 2707 2707.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01776e+03 6.05518e+03 1.98475e+04 2.45094e+02 -1.08857e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97172e+03 1.16777e+05 5.69028e+05 -4.07630e+06 1.00008e+04 Potential Pressure (bar) -3.34844e+06 -5.05840e+03 Step Time 2708 2708.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02449e+03 6.05917e+03 1.98474e+04 2.45049e+02 -1.08852e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97047e+03 1.16779e+05 5.69043e+05 -4.07634e+06 1.00005e+04 Potential Pressure (bar) -3.34846e+06 -5.05929e+03 Step Time 2709 2709.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03469e+03 6.05711e+03 1.98475e+04 2.45089e+02 -1.08859e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97188e+03 1.16776e+05 5.69061e+05 -4.07636e+06 1.00002e+04 Potential Pressure (bar) -3.34846e+06 -5.05773e+03 Step Time 2710 2710.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04787e+03 6.06392e+03 1.98475e+04 2.45034e+02 -1.08852e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97009e+03 1.16779e+05 5.69076e+05 -4.07640e+06 9.99985e+03 Potential Pressure (bar) -3.34846e+06 -5.05921e+03 Step Time 2711 2711.00000 Step Time 2712 2712.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00290e+03 6.05415e+03 1.98475e+04 2.45058e+02 -1.08856e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97108e+03 1.16777e+05 5.69085e+05 -4.07642e+06 9.99962e+03 Potential Pressure (bar) -3.34852e+06 -5.05784e+03 Step Time 2713 2713.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07109e+03 6.06767e+03 1.98476e+04 2.44985e+02 -1.08854e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96963e+03 1.16779e+05 5.69161e+05 -4.07658e+06 9.99803e+03 Potential Pressure (bar) -3.34853e+06 -5.05825e+03 Step Time 2714 2714.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00860e+03 6.05458e+03 1.98477e+04 2.45025e+02 -1.08860e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97105e+03 1.16776e+05 5.69171e+05 -4.07659e+06 9.99780e+03 Potential Pressure (bar) -3.34861e+06 -5.05635e+03 Step Time 2715 2715.00000 Step Time 2716 2716.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01873e+03 6.05814e+03 1.98477e+04 2.44988e+02 -1.08856e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97010e+03 1.16777e+05 5.69190e+05 -4.07663e+06 9.99735e+03 Potential Pressure (bar) -3.34862e+06 -5.05696e+03 Step Time 2717 2717.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01682e+03 6.05545e+03 1.98477e+04 2.45018e+02 -1.08861e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97114e+03 1.16775e+05 5.69206e+05 -4.07665e+06 9.99717e+03 Potential Pressure (bar) -3.34863e+06 -5.05577e+03 Step Time 2718 2718.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03343e+03 6.06115e+03 1.98477e+04 2.44974e+02 -1.08856e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96979e+03 1.16777e+05 5.69223e+05 -4.07670e+06 9.99670e+03 Potential Pressure (bar) -3.34863e+06 -5.05673e+03 Step Time 2719 2719.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03472e+03 6.05747e+03 1.98478e+04 2.45019e+02 -1.08863e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97132e+03 1.16774e+05 5.69239e+05 -4.07672e+06 9.99652e+03 Potential Pressure (bar) -3.34864e+06 -5.05513e+03 Step Time 2720 2720.00000 Step Time 2721 2721.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00398e+03 6.05518e+03 1.98478e+04 2.44982e+02 -1.08859e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97033e+03 1.16776e+05 5.69247e+05 -4.07674e+06 9.99625e+03 Potential Pressure (bar) -3.34869e+06 -5.05563e+03 Step Time 2722 2722.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05184e+03 6.05978e+03 1.98479e+04 2.44991e+02 -1.08867e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97126e+03 1.16773e+05 5.69315e+05 -4.07687e+06 9.99491e+03 Potential Pressure (bar) -3.34870e+06 -5.05396e+03 Step Time 2723 2723.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01041e+03 6.05679e+03 1.98479e+04 2.44941e+02 -1.08860e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96986e+03 1.16775e+05 5.69324e+05 -4.07690e+06 9.99462e+03 Potential Pressure (bar) -3.34876e+06 -5.05475e+03 Step Time 2724 2724.00000 Step Time 2725 2725.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01262e+03 6.05533e+03 1.98479e+04 2.44963e+02 -1.08865e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97062e+03 1.16774e+05 5.69342e+05 -4.07693e+06 9.99433e+03 Potential Pressure (bar) -3.34877e+06 -5.05378e+03 Step Time 2726 2726.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01803e+03 6.05846e+03 1.98479e+04 2.44928e+02 -1.08861e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96960e+03 1.16775e+05 5.69357e+05 -4.07696e+06 9.99395e+03 Potential Pressure (bar) -3.34879e+06 -5.05445e+03 Step Time 2727 2727.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02330e+03 6.05653e+03 1.98480e+04 2.44956e+02 -1.08866e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97072e+03 1.16773e+05 5.69375e+05 -4.07699e+06 9.99363e+03 Potential Pressure (bar) -3.34879e+06 -5.05316e+03 Step Time 2728 2728.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03348e+03 6.06165e+03 1.98479e+04 2.44909e+02 -1.08861e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96928e+03 1.16775e+05 5.69390e+05 -4.07703e+06 9.99326e+03 Potential Pressure (bar) -3.34880e+06 -5.05426e+03 Step Time 2729 2729.00000 Step Time 2730 2730.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00343e+03 6.05489e+03 1.98480e+04 2.44928e+02 -1.08864e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97008e+03 1.16774e+05 5.69399e+05 -4.07704e+06 9.99307e+03 Potential Pressure (bar) -3.34884e+06 -5.05317e+03 Step Time 2731 2731.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04883e+03 6.06420e+03 1.98480e+04 2.44868e+02 -1.08863e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96884e+03 1.16775e+05 5.69479e+05 -4.07721e+06 9.99148e+03 Potential Pressure (bar) -3.34888e+06 -5.05317e+03 Step Time 2732 2732.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00696e+03 6.05512e+03 1.98481e+04 2.44897e+02 -1.08868e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97000e+03 1.16772e+05 5.69489e+05 -4.07722e+06 9.99127e+03 Potential Pressure (bar) -3.34893e+06 -5.05168e+03 Step Time 2733 2733.00000 Step Time 2734 2734.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01439e+03 6.05788e+03 1.98481e+04 2.44863e+02 -1.08865e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96922e+03 1.16774e+05 5.69507e+05 -4.07726e+06 9.99085e+03 Potential Pressure (bar) -3.34894e+06 -5.05208e+03 Step Time 2735 2735.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01208e+03 6.05562e+03 1.98482e+04 2.44888e+02 -1.08870e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97005e+03 1.16772e+05 5.69523e+05 -4.07728e+06 9.99058e+03 Potential Pressure (bar) -3.34895e+06 -5.05108e+03 Step Time 2736 2736.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02415e+03 6.05993e+03 1.98482e+04 2.44849e+02 -1.08865e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96896e+03 1.16774e+05 5.69540e+05 -4.07732e+06 9.99021e+03 Potential Pressure (bar) -3.34896e+06 -5.05181e+03 Step Time 2737 2737.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02333e+03 6.05683e+03 1.98482e+04 2.44883e+02 -1.08871e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97017e+03 1.16771e+05 5.69556e+05 -4.07735e+06 9.98999e+03 Potential Pressure (bar) -3.34897e+06 -5.05044e+03 Step Time 2738 2738.00000 Step Time 2739 2739.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00454e+03 6.05579e+03 1.98482e+04 2.44855e+02 -1.08868e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96938e+03 1.16772e+05 5.69563e+05 -4.07737e+06 9.98972e+03 Potential Pressure (bar) -3.34901e+06 -5.05087e+03 Step Time 2740 2740.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03421e+03 6.05821e+03 1.98484e+04 2.44859e+02 -1.08874e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.97008e+03 1.16770e+05 5.69626e+05 -4.07749e+06 9.98852e+03 Potential Pressure (bar) -3.34904e+06 -5.04930e+03 Step Time 2741 2741.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00895e+03 6.05700e+03 1.98483e+04 2.44821e+02 -1.08870e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96896e+03 1.16772e+05 5.69636e+05 -4.07751e+06 9.98820e+03 Potential Pressure (bar) -3.34908e+06 -5.05000e+03 Step Time 2742 2742.00000 Step Time 2743 2743.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00959e+03 6.05563e+03 1.98484e+04 2.44832e+02 -1.08873e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96957e+03 1.16770e+05 5.69652e+05 -4.07754e+06 9.98793e+03 Potential Pressure (bar) -3.34909e+06 -5.04914e+03 Step Time 2744 2744.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01407e+03 6.05818e+03 1.98484e+04 2.44803e+02 -1.08870e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96874e+03 1.16772e+05 5.69668e+05 -4.07757e+06 9.98761e+03 Potential Pressure (bar) -3.34910e+06 -5.04966e+03 Step Time 2745 2745.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01628e+03 6.05632e+03 1.98484e+04 2.44822e+02 -1.08874e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96964e+03 1.16770e+05 5.69685e+05 -4.07760e+06 9.98729e+03 Potential Pressure (bar) -3.34911e+06 -5.04859e+03 Step Time 2746 2746.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02434e+03 6.06035e+03 1.98484e+04 2.44785e+02 -1.08870e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96846e+03 1.16772e+05 5.69700e+05 -4.07764e+06 9.98692e+03 Potential Pressure (bar) -3.34912e+06 -5.04940e+03 Step Time 2747 2747.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03040e+03 6.05789e+03 1.98485e+04 2.44818e+02 -1.08876e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96977e+03 1.16769e+05 5.69717e+05 -4.07766e+06 9.98671e+03 Potential Pressure (bar) -3.34913e+06 -5.04795e+03 Step Time 2748 2748.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04507e+03 6.06460e+03 1.98484e+04 2.44767e+02 -1.08870e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96812e+03 1.16772e+05 5.69732e+05 -4.07771e+06 9.98628e+03 Potential Pressure (bar) -3.34913e+06 -5.04931e+03 Step Time 2749 2749.00000 Step Time 2750 2750.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00433e+03 6.05566e+03 1.98485e+04 2.44790e+02 -1.08875e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96903e+03 1.16770e+05 5.69740e+05 -4.07772e+06 9.98612e+03 Potential Pressure (bar) -3.34919e+06 -5.04801e+03 Step Time 2751 2751.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06573e+03 6.06780e+03 1.98486e+04 2.44716e+02 -1.08870e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96762e+03 1.16771e+05 5.69830e+05 -4.07790e+06 9.98430e+03 Potential Pressure (bar) -3.34921e+06 -5.04816e+03 Step Time 2752 2752.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00882e+03 6.05590e+03 1.98487e+04 2.44757e+02 -1.08878e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96894e+03 1.16769e+05 5.69839e+05 -4.07791e+06 9.98412e+03 Potential Pressure (bar) -3.34928e+06 -5.04640e+03 Step Time 2753 2753.00000 Step Time 2754 2754.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01934e+03 6.05944e+03 1.98487e+04 2.44723e+02 -1.08875e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96806e+03 1.16770e+05 5.69857e+05 -4.07795e+06 9.98362e+03 Potential Pressure (bar) -3.34929e+06 -5.04692e+03 Step Time 2755 2755.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01557e+03 6.05656e+03 1.98487e+04 2.44748e+02 -1.08880e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96903e+03 1.16768e+05 5.69872e+05 -4.07797e+06 9.98349e+03 Potential Pressure (bar) -3.34930e+06 -5.04578e+03 Step Time 2756 2756.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03242e+03 6.06217e+03 1.98487e+04 2.44703e+02 -1.08875e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96777e+03 1.16770e+05 5.69890e+05 -4.07801e+06 9.98302e+03 Potential Pressure (bar) -3.34930e+06 -5.04666e+03 Step Time 2757 2757.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03050e+03 6.05817e+03 1.98488e+04 2.44745e+02 -1.08882e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96919e+03 1.16767e+05 5.69906e+05 -4.07804e+06 9.98283e+03 Potential Pressure (bar) -3.34932e+06 -5.04516e+03 Step Time 2758 2758.00000 Step Time 2759 2759.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00584e+03 6.05667e+03 1.98488e+04 2.44712e+02 -1.08878e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96827e+03 1.16769e+05 5.69914e+05 -4.07805e+06 9.98253e+03 Potential Pressure (bar) -3.34935e+06 -5.04564e+03 Step Time 2760 2760.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04487e+03 6.06004e+03 1.98489e+04 2.44727e+02 -1.08886e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96916e+03 1.16766e+05 5.69970e+05 -4.07816e+06 9.98155e+03 Potential Pressure (bar) -3.34937e+06 -5.04410e+03 Step Time 2761 2761.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01176e+03 6.05818e+03 1.98488e+04 2.44681e+02 -1.08880e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96786e+03 1.16768e+05 5.69980e+05 -4.07819e+06 9.98119e+03 Potential Pressure (bar) -3.34942e+06 -5.04490e+03 Step Time 2762 2762.00000 Step Time 2763 2763.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01217e+03 6.05648e+03 1.98489e+04 2.44698e+02 -1.08884e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96857e+03 1.16767e+05 5.69996e+05 -4.07822e+06 9.98097e+03 Potential Pressure (bar) -3.34943e+06 -5.04397e+03 Step Time 2764 2764.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01870e+03 6.05967e+03 1.98489e+04 2.44663e+02 -1.08880e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96761e+03 1.16768e+05 5.70011e+05 -4.07825e+06 9.98062e+03 Potential Pressure (bar) -3.34944e+06 -5.04459e+03 Step Time 2765 2765.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02099e+03 6.05741e+03 1.98490e+04 2.44689e+02 -1.08886e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96865e+03 1.16766e+05 5.70027e+05 -4.07828e+06 9.98030e+03 Potential Pressure (bar) -3.34945e+06 -5.04340e+03 Step Time 2766 2766.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03250e+03 6.06251e+03 1.98489e+04 2.44645e+02 -1.08880e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96731e+03 1.16768e+05 5.70042e+05 -4.07832e+06 9.97997e+03 Potential Pressure (bar) -3.34946e+06 -5.04439e+03 Step Time 2767 2767.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03975e+03 6.05953e+03 1.98490e+04 2.44686e+02 -1.08888e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96883e+03 1.16765e+05 5.70060e+05 -4.07834e+06 9.97977e+03 Potential Pressure (bar) -3.34946e+06 -5.04279e+03 Step Time 2768 2768.00000 Step Time 2769 2769.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00558e+03 6.05678e+03 1.98490e+04 2.44655e+02 -1.08884e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96784e+03 1.16767e+05 5.70066e+05 -4.07836e+06 9.97947e+03 Potential Pressure (bar) -3.34951e+06 -5.04331e+03 Step Time 2770 2770.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05706e+03 6.06184e+03 1.98492e+04 2.44645e+02 -1.08890e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96870e+03 1.16764e+05 5.70159e+05 -4.07854e+06 9.97770e+03 Potential Pressure (bar) -3.34955e+06 -5.04127e+03 Step Time 2771 2771.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01124e+03 6.05826e+03 1.98491e+04 2.44601e+02 -1.08885e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96729e+03 1.16767e+05 5.70167e+05 -4.07856e+06 9.97736e+03 Potential Pressure (bar) -3.34961e+06 -5.04204e+03 Step Time 2772 2772.00000 Step Time 2773 2773.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01626e+03 6.05720e+03 1.98492e+04 2.44620e+02 -1.08890e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96806e+03 1.16765e+05 5.70186e+05 -4.07860e+06 9.97712e+03 Potential Pressure (bar) -3.34962e+06 -5.04104e+03 Step Time 2774 2774.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01821e+03 6.05981e+03 1.98492e+04 2.44588e+02 -1.08886e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96705e+03 1.16766e+05 5.70200e+05 -4.07863e+06 9.97679e+03 Potential Pressure (bar) -3.34964e+06 -5.04175e+03 Step Time 2775 2775.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02757e+03 6.05843e+03 1.98493e+04 2.44613e+02 -1.08892e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96817e+03 1.16764e+05 5.70218e+05 -4.07866e+06 9.97645e+03 Potential Pressure (bar) -3.34964e+06 -5.04044e+03 Step Time 2776 2776.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03266e+03 6.06285e+03 1.98492e+04 2.44569e+02 -1.08886e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96673e+03 1.16767e+05 5.70232e+05 -4.07869e+06 9.97618e+03 Potential Pressure (bar) -3.34965e+06 -5.04157e+03 Step Time 2777 2777.00000 Step Time 2778 2778.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00588e+03 6.05656e+03 1.98493e+04 2.44586e+02 -1.08890e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96753e+03 1.16765e+05 5.70241e+05 -4.07871e+06 9.97595e+03 Potential Pressure (bar) -3.34969e+06 -5.04051e+03 Step Time 2779 2779.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04688e+03 6.06530e+03 1.98493e+04 2.44544e+02 -1.08887e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96637e+03 1.16766e+05 5.70296e+05 -4.07882e+06 9.97488e+03 Potential Pressure (bar) -3.34970e+06 -5.04085e+03 Step Time 2780 2780.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01008e+03 6.05681e+03 1.98494e+04 2.44573e+02 -1.08893e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96752e+03 1.16764e+05 5.70307e+05 -4.07884e+06 9.97469e+03 Potential Pressure (bar) -3.34975e+06 -5.03932e+03 Step Time 2781 2781.00000 Step Time 2782 2782.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01468e+03 6.05918e+03 1.98494e+04 2.44544e+02 -1.08890e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96675e+03 1.16765e+05 5.70323e+05 -4.07887e+06 9.97430e+03 Potential Pressure (bar) -3.34976e+06 -5.03979e+03 Step Time 2783 2783.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01568e+03 6.05735e+03 1.98495e+04 2.44561e+02 -1.08895e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96758e+03 1.16763e+05 5.70338e+05 -4.07890e+06 9.97407e+03 Potential Pressure (bar) -3.34977e+06 -5.03877e+03 Step Time 2784 2784.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02370e+03 6.06108e+03 1.98494e+04 2.44522e+02 -1.08890e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96649e+03 1.16765e+05 5.70353e+05 -4.07893e+06 9.97373e+03 Potential Pressure (bar) -3.34978e+06 -5.03956e+03 Step Time 2785 2785.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02760e+03 6.05863e+03 1.98495e+04 2.44555e+02 -1.08897e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96770e+03 1.16763e+05 5.70370e+05 -4.07896e+06 9.97348e+03 Potential Pressure (bar) -3.34979e+06 -5.03817e+03 Step Time 2786 2786.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04181e+03 6.06477e+03 1.98495e+04 2.44505e+02 -1.08890e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96616e+03 1.16765e+05 5.70384e+05 -4.07899e+06 9.97310e+03 Potential Pressure (bar) -3.34979e+06 -5.03940e+03 Step Time 2787 2787.00000 Step Time 2788 2788.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00589e+03 6.05690e+03 1.98495e+04 2.44528e+02 -1.08895e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96701e+03 1.16763e+05 5.70392e+05 -4.07901e+06 9.97295e+03 Potential Pressure (bar) -3.34984e+06 -5.03823e+03 Step Time 2789 2789.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06002e+03 6.06769e+03 1.98496e+04 2.44454e+02 -1.08893e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96566e+03 1.16765e+05 5.70488e+05 -4.07920e+06 9.97109e+03 Potential Pressure (bar) -3.34988e+06 -5.03816e+03 Step Time 2790 2790.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00956e+03 6.05703e+03 1.98497e+04 2.44494e+02 -1.08899e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96690e+03 1.16762e+05 5.70497e+05 -4.07921e+06 9.97084e+03 Potential Pressure (bar) -3.34994e+06 -5.03651e+03 Step Time 2791 2791.00000 Step Time 2792 2792.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01946e+03 6.06035e+03 1.98497e+04 2.44464e+02 -1.08896e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96607e+03 1.16763e+05 5.70516e+05 -4.07926e+06 9.97041e+03 Potential Pressure (bar) -3.34996e+06 -5.03701e+03 Step Time 2793 2793.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01520e+03 6.05757e+03 1.98497e+04 2.44486e+02 -1.08901e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96696e+03 1.16761e+05 5.70530e+05 -4.07928e+06 9.97022e+03 Potential Pressure (bar) -3.34997e+06 -5.03591e+03 Step Time 2794 2794.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03093e+03 6.06273e+03 1.98497e+04 2.44445e+02 -1.08896e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96580e+03 1.16763e+05 5.70547e+05 -4.07932e+06 9.96989e+03 Potential Pressure (bar) -3.34998e+06 -5.03677e+03 Step Time 2795 2795.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02777e+03 6.05889e+03 1.98498e+04 2.44483e+02 -1.08903e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96711e+03 1.16761e+05 5.70562e+05 -4.07934e+06 9.96959e+03 Potential Pressure (bar) -3.34999e+06 -5.03533e+03 Step Time 2796 2796.00000 Step Time 2797 2797.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00748e+03 6.05786e+03 1.98498e+04 2.44452e+02 -1.08900e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96626e+03 1.16762e+05 5.70569e+05 -4.07936e+06 9.96938e+03 Potential Pressure (bar) -3.35002e+06 -5.03580e+03 Step Time 2798 2798.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04001e+03 6.06036e+03 1.98499e+04 2.44464e+02 -1.08906e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96709e+03 1.16760e+05 5.70621e+05 -4.07946e+06 9.96844e+03 Potential Pressure (bar) -3.35004e+06 -5.03436e+03 Step Time 2799 2799.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01278e+03 6.05919e+03 1.98499e+04 2.44423e+02 -1.08901e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96587e+03 1.16762e+05 5.70630e+05 -4.07949e+06 9.96817e+03 Potential Pressure (bar) -3.35008e+06 -5.03512e+03 Step Time 2800 2800.00000 Step Time 2801 2801.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01242e+03 6.05747e+03 1.98499e+04 2.44436e+02 -1.08905e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96654e+03 1.16760e+05 5.70646e+05 -4.07951e+06 9.96793e+03 Potential Pressure (bar) -3.35009e+06 -5.03423e+03 Step Time 2802 2802.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01890e+03 6.06052e+03 1.98499e+04 2.44405e+02 -1.08901e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96565e+03 1.16762e+05 5.70662e+05 -4.07955e+06 9.96761e+03 Potential Pressure (bar) -3.35010e+06 -5.03478e+03 Step Time 2803 2803.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01981e+03 6.05822e+03 1.98500e+04 2.44429e+02 -1.08906e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96661e+03 1.16760e+05 5.70677e+05 -4.07957e+06 9.96733e+03 Potential Pressure (bar) -3.35012e+06 -5.03364e+03 Step Time 2804 2804.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03102e+03 6.06303e+03 1.98499e+04 2.44389e+02 -1.08901e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96536e+03 1.16762e+05 5.70692e+05 -4.07961e+06 9.96704e+03 Potential Pressure (bar) -3.35012e+06 -5.03461e+03 Step Time 2805 2805.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03565e+03 6.05996e+03 1.98500e+04 2.44423e+02 -1.08908e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96678e+03 1.16759e+05 5.70708e+05 -4.07963e+06 9.96678e+03 Potential Pressure (bar) -3.35013e+06 -5.03306e+03 Step Time 2806 2806.00000 Step Time 2807 2807.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00724e+03 6.05789e+03 1.98500e+04 2.44393e+02 -1.08905e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96586e+03 1.16761e+05 5.70715e+05 -4.07965e+06 9.96651e+03 Potential Pressure (bar) -3.35017e+06 -5.03357e+03 Step Time 2808 2808.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05045e+03 6.06187e+03 1.98502e+04 2.44398e+02 -1.08914e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96666e+03 1.16758e+05 5.70796e+05 -4.07980e+06 9.96502e+03 Potential Pressure (bar) -3.35020e+06 -5.03169e+03 Step Time 2809 2809.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01233e+03 6.05921e+03 1.98501e+04 2.44356e+02 -1.08907e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96537e+03 1.16760e+05 5.70804e+05 -4.07982e+06 9.96478e+03 Potential Pressure (bar) -3.35025e+06 -5.03248e+03 Step Time 2810 2810.00000 Step Time 2811 2811.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01589e+03 6.05803e+03 1.98502e+04 2.44372e+02 -1.08911e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96608e+03 1.16759e+05 5.70822e+05 -4.07985e+06 9.96441e+03 Potential Pressure (bar) -3.35026e+06 -5.03152e+03 Step Time 2812 2812.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01849e+03 6.06059e+03 1.98502e+04 2.44340e+02 -1.08907e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96513e+03 1.16760e+05 5.70836e+05 -4.07989e+06 9.96414e+03 Potential Pressure (bar) -3.35028e+06 -5.03219e+03 Step Time 2813 2813.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02543e+03 6.05905e+03 1.98502e+04 2.44363e+02 -1.08913e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96617e+03 1.16758e+05 5.70852e+05 -4.07992e+06 9.96389e+03 Potential Pressure (bar) -3.35029e+06 -5.03096e+03 Step Time 2814 2814.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03120e+03 6.06322e+03 1.98502e+04 2.44322e+02 -1.08907e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96484e+03 1.16760e+05 5.70866e+05 -4.07995e+06 9.96358e+03 Potential Pressure (bar) -3.35030e+06 -5.03199e+03 Step Time 2815 2815.00000 Step Time 2816 2816.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00732e+03 6.05761e+03 1.98503e+04 2.44336e+02 -1.08911e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96557e+03 1.16759e+05 5.70875e+05 -4.07996e+06 9.96339e+03 Potential Pressure (bar) -3.35033e+06 -5.03099e+03 Step Time 2817 2817.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04368e+03 6.06538e+03 1.98503e+04 2.44298e+02 -1.08909e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96448e+03 1.16760e+05 5.70934e+05 -4.08009e+06 9.96228e+03 Potential Pressure (bar) -3.35035e+06 -5.03122e+03 Step Time 2818 2818.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01076e+03 6.05776e+03 1.98504e+04 2.44321e+02 -1.08915e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96555e+03 1.16758e+05 5.70944e+05 -4.08010e+06 9.96207e+03 Potential Pressure (bar) -3.35040e+06 -5.02982e+03 Step Time 2819 2819.00000 Step Time 2820 2820.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01545e+03 6.06000e+03 1.98504e+04 2.44292e+02 -1.08912e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96483e+03 1.16759e+05 5.70960e+05 -4.08013e+06 9.96174e+03 Potential Pressure (bar) -3.35041e+06 -5.03024e+03 Step Time 2821 2821.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01543e+03 6.05818e+03 1.98504e+04 2.44309e+02 -1.08916e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96559e+03 1.16757e+05 5.70975e+05 -4.08016e+06 9.96149e+03 Potential Pressure (bar) -3.35042e+06 -5.02925e+03 Step Time 2822 2822.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02342e+03 6.06169e+03 1.98504e+04 2.44276e+02 -1.08912e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96458e+03 1.16759e+05 5.70990e+05 -4.08020e+06 9.96112e+03 Potential Pressure (bar) -3.35043e+06 -5.02996e+03 Step Time 2823 2823.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02546e+03 6.05922e+03 1.98505e+04 2.44303e+02 -1.08918e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96570e+03 1.16757e+05 5.71005e+05 -4.08022e+06 9.96088e+03 Potential Pressure (bar) -3.35044e+06 -5.02870e+03 Step Time 2824 2824.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03929e+03 6.06492e+03 1.98504e+04 2.44258e+02 -1.08912e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96427e+03 1.16759e+05 5.71020e+05 -4.08026e+06 9.96055e+03 Potential Pressure (bar) -3.35044e+06 -5.02980e+03 Step Time 2825 2825.00000 Step Time 2826 2826.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00744e+03 6.05789e+03 1.98505e+04 2.44280e+02 -1.08916e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96506e+03 1.16757e+05 5.71028e+05 -4.08027e+06 9.96043e+03 Potential Pressure (bar) -3.35049e+06 -5.02872e+03 Step Time 2827 2827.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05522e+03 6.06752e+03 1.98506e+04 2.44202e+02 -1.08915e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96372e+03 1.16758e+05 5.71134e+05 -4.08048e+06 9.95841e+03 Potential Pressure (bar) -3.35054e+06 -5.02837e+03 Step Time 2828 2828.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01038e+03 6.05797e+03 1.98506e+04 2.44236e+02 -1.08921e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96490e+03 1.16756e+05 5.71142e+05 -4.08049e+06 9.95817e+03 Potential Pressure (bar) -3.35060e+06 -5.02690e+03 Step Time 2829 2829.00000 Step Time 2830 2830.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01981e+03 6.06103e+03 1.98506e+04 2.44209e+02 -1.08918e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96413e+03 1.16757e+05 5.71161e+05 -4.08053e+06 9.95779e+03 Potential Pressure (bar) -3.35061e+06 -5.02728e+03 Step Time 2831 2831.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01511e+03 6.05837e+03 1.98507e+04 2.44233e+02 -1.08923e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96496e+03 1.16755e+05 5.71174e+05 -4.08056e+06 9.95759e+03 Potential Pressure (bar) -3.35062e+06 -5.02628e+03 Step Time 2832 2832.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02986e+03 6.06315e+03 1.98507e+04 2.44193e+02 -1.08918e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96388e+03 1.16757e+05 5.71192e+05 -4.08060e+06 9.95724e+03 Potential Pressure (bar) -3.35063e+06 -5.02702e+03 Step Time 2833 2833.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02569e+03 6.05943e+03 1.98508e+04 2.44228e+02 -1.08925e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96509e+03 1.16755e+05 5.71206e+05 -4.08062e+06 9.95701e+03 Potential Pressure (bar) -3.35064e+06 -5.02568e+03 Step Time 2834 2834.00000 Step Time 2835 2835.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00910e+03 6.05878e+03 1.98507e+04 2.44197e+02 -1.08921e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96430e+03 1.16756e+05 5.71214e+05 -4.08064e+06 9.95680e+03 Potential Pressure (bar) -3.35067e+06 -5.02613e+03 Step Time 2836 2836.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03603e+03 6.06067e+03 1.98509e+04 2.44212e+02 -1.08928e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96507e+03 1.16754e+05 5.71261e+05 -4.08072e+06 9.95600e+03 Potential Pressure (bar) -3.35068e+06 -5.02482e+03 Step Time 2837 2837.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01388e+03 6.06000e+03 1.98508e+04 2.44174e+02 -1.08922e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96394e+03 1.16756e+05 5.71269e+05 -4.08075e+06 9.95575e+03 Potential Pressure (bar) -3.35072e+06 -5.02551e+03 Step Time 2838 2838.00000 Step Time 2839 2839.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01282e+03 6.05830e+03 1.98509e+04 2.44186e+02 -1.08926e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96456e+03 1.16755e+05 5.71284e+05 -4.08077e+06 9.95544e+03 Potential Pressure (bar) -3.35074e+06 -5.02469e+03 Step Time 2840 2840.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01930e+03 6.06118e+03 1.98509e+04 2.44160e+02 -1.08923e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96373e+03 1.16756e+05 5.71299e+05 -4.08080e+06 9.95521e+03 Potential Pressure (bar) -3.35074e+06 -5.02518e+03 Step Time 2841 2841.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01901e+03 6.05890e+03 1.98509e+04 2.44180e+02 -1.08928e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96462e+03 1.16754e+05 5.71314e+05 -4.08083e+06 9.95495e+03 Potential Pressure (bar) -3.35076e+06 -5.02413e+03 Step Time 2842 2842.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02997e+03 6.06338e+03 1.98509e+04 2.44142e+02 -1.08923e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96345e+03 1.16756e+05 5.71329e+05 -4.08087e+06 9.95460e+03 Potential Pressure (bar) -3.35077e+06 -5.02498e+03 Step Time 2843 2843.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03237e+03 6.06033e+03 1.98510e+04 2.44177e+02 -1.08930e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96476e+03 1.16753e+05 5.71344e+05 -4.08089e+06 9.95431e+03 Potential Pressure (bar) -3.35078e+06 -5.02353e+03 Step Time 2844 2844.00000 Step Time 2845 2845.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00889e+03 6.05877e+03 1.98509e+04 2.44149e+02 -1.08926e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96392e+03 1.16755e+05 5.71352e+05 -4.08091e+06 9.95415e+03 Potential Pressure (bar) -3.35081e+06 -5.02401e+03 Step Time 2846 2846.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04494e+03 6.06194e+03 1.98511e+04 2.44152e+02 -1.08933e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96466e+03 1.16752e+05 5.71422e+05 -4.08104e+06 9.95291e+03 Potential Pressure (bar) -3.35083e+06 -5.02233e+03 Step Time 2847 2847.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01347e+03 6.05998e+03 1.98511e+04 2.44113e+02 -1.08928e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96347e+03 1.16754e+05 5.71430e+05 -4.08106e+06 9.95268e+03 Potential Pressure (bar) -3.35088e+06 -5.02304e+03 Step Time 2848 2848.00000 Step Time 2849 2849.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01578e+03 6.05874e+03 1.98511e+04 2.44126e+02 -1.08932e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96413e+03 1.16753e+05 5.71447e+05 -4.08109e+06 9.95233e+03 Potential Pressure (bar) -3.35090e+06 -5.02216e+03 Step Time 2850 2850.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01894e+03 6.06121e+03 1.98511e+04 2.44099e+02 -1.08929e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96326e+03 1.16754e+05 5.71460e+05 -4.08112e+06 9.95209e+03 Potential Pressure (bar) -3.35091e+06 -5.02274e+03 Step Time 2851 2851.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02377e+03 6.05957e+03 1.98512e+04 2.44121e+02 -1.08934e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96421e+03 1.16752e+05 5.71477e+05 -4.08115e+06 9.95182e+03 Potential Pressure (bar) -3.35092e+06 -5.02163e+03 Step Time 2852 2852.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03015e+03 6.06353e+03 1.98511e+04 2.44083e+02 -1.08929e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96298e+03 1.16754e+05 5.71490e+05 -4.08118e+06 9.95159e+03 Potential Pressure (bar) -3.35093e+06 -5.02256e+03 Step Time 2853 2853.00000 Step Time 2854 2854.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00873e+03 6.05847e+03 1.98512e+04 2.44097e+02 -1.08932e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96366e+03 1.16753e+05 5.71498e+05 -4.08119e+06 9.95138e+03 Potential Pressure (bar) -3.35096e+06 -5.02167e+03 Step Time 2855 2855.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04124e+03 6.06540e+03 1.98512e+04 2.44054e+02 -1.08930e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96261e+03 1.16754e+05 5.71562e+05 -4.08133e+06 9.95013e+03 Potential Pressure (bar) -3.35099e+06 -5.02168e+03 Step Time 2856 2856.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01155e+03 6.05851e+03 1.98513e+04 2.44079e+02 -1.08935e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96360e+03 1.16752e+05 5.71571e+05 -4.08134e+06 9.94993e+03 Potential Pressure (bar) -3.35103e+06 -5.02041e+03 Step Time 2857 2857.00000 Step Time 2858 2858.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01635e+03 6.06068e+03 1.98513e+04 2.44053e+02 -1.08933e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96294e+03 1.16753e+05 5.71587e+05 -4.08137e+06 9.94970e+03 Potential Pressure (bar) -3.35104e+06 -5.02078e+03 Step Time 2859 2859.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01542e+03 6.05884e+03 1.98513e+04 2.44067e+02 -1.08937e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96365e+03 1.16752e+05 5.71601e+05 -4.08140e+06 9.94945e+03 Potential Pressure (bar) -3.35105e+06 -5.01988e+03 Step Time 2860 2860.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02340e+03 6.06219e+03 1.98513e+04 2.44036e+02 -1.08933e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96271e+03 1.16753e+05 5.71616e+05 -4.08143e+06 9.94910e+03 Potential Pressure (bar) -3.35106e+06 -5.02052e+03 Step Time 2861 2861.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02383e+03 6.05968e+03 1.98514e+04 2.44064e+02 -1.08939e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96374e+03 1.16751e+05 5.71631e+05 -4.08146e+06 9.94893e+03 Potential Pressure (bar) -3.35107e+06 -5.01933e+03 Step Time 2862 2862.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03737e+03 6.06503e+03 1.98513e+04 2.44020e+02 -1.08933e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96241e+03 1.16753e+05 5.71646e+05 -4.08150e+06 9.94856e+03 Potential Pressure (bar) -3.35108e+06 -5.02033e+03 Step Time 2863 2863.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04191e+03 6.06166e+03 1.98514e+04 2.44061e+02 -1.08941e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96393e+03 1.16750e+05 5.71661e+05 -4.08152e+06 9.94841e+03 Potential Pressure (bar) -3.35108e+06 -5.01872e+03 Step Time 2864 2864.00000 Step Time 2865 2865.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00979e+03 6.05924e+03 1.98514e+04 2.44031e+02 -1.08937e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96295e+03 1.16752e+05 5.71668e+05 -4.08154e+06 9.94813e+03 Potential Pressure (bar) -3.35113e+06 -5.01927e+03 Step Time 2866 2866.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05890e+03 6.06389e+03 1.98516e+04 2.44038e+02 -1.08945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96386e+03 1.16749e+05 5.71740e+05 -4.08167e+06 9.94692e+03 Potential Pressure (bar) -3.35114e+06 -5.01752e+03 Step Time 2867 2867.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01568e+03 6.06065e+03 1.98515e+04 2.43993e+02 -1.08938e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96247e+03 1.16752e+05 5.71748e+05 -4.08170e+06 9.94662e+03 Potential Pressure (bar) -3.35121e+06 -5.01832e+03 Step Time 2868 2868.00000 Step Time 2869 2869.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01941e+03 6.05939e+03 1.98516e+04 2.44012e+02 -1.08943e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96325e+03 1.16750e+05 5.71765e+05 -4.08173e+06 9.94629e+03 Potential Pressure (bar) -3.35122e+06 -5.01736e+03 Step Time 2870 2870.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02278e+03 6.06222e+03 1.98515e+04 2.43977e+02 -1.08938e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96223e+03 1.16752e+05 5.71778e+05 -4.08176e+06 9.94610e+03 Potential Pressure (bar) -3.35123e+06 -5.01808e+03 Step Time 2871 2871.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03026e+03 6.06054e+03 1.98516e+04 2.44008e+02 -1.08945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96335e+03 1.16749e+05 5.71795e+05 -4.08178e+06 9.94585e+03 Potential Pressure (bar) -3.35123e+06 -5.01678e+03 Step Time 2872 2872.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03745e+03 6.06523e+03 1.98516e+04 2.43961e+02 -1.08938e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96192e+03 1.16752e+05 5.71808e+05 -4.08181e+06 9.94560e+03 Potential Pressure (bar) -3.35124e+06 -5.01791e+03 Step Time 2873 2873.00000 Step Time 2874 2874.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.00969e+03 6.05881e+03 1.98516e+04 2.43982e+02 -1.08942e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96271e+03 1.16750e+05 5.71816e+05 -4.08182e+06 9.94538e+03 Potential Pressure (bar) -3.35127e+06 -5.01684e+03 Step Time 2875 2875.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05188e+03 6.06765e+03 1.98516e+04 2.43931e+02 -1.08939e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96155e+03 1.16752e+05 5.71876e+05 -4.08195e+06 9.94426e+03 Potential Pressure (bar) -3.35129e+06 -5.01715e+03 Step Time 2876 2876.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01351e+03 6.05895e+03 1.98517e+04 2.43964e+02 -1.08946e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96270e+03 1.16749e+05 5.71885e+05 -4.08196e+06 9.94407e+03 Potential Pressure (bar) -3.35134e+06 -5.01568e+03 Step Time 2877 2877.00000 Step Time 2878 2878.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01925e+03 6.06148e+03 1.98517e+04 2.43933e+02 -1.08942e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96194e+03 1.16750e+05 5.71900e+05 -4.08199e+06 9.94375e+03 Potential Pressure (bar) -3.35135e+06 -5.01614e+03 Step Time 2879 2879.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01880e+03 6.05944e+03 1.98518e+04 2.43955e+02 -1.08947e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96276e+03 1.16749e+05 5.71914e+05 -4.08202e+06 9.94354e+03 Potential Pressure (bar) -3.35136e+06 -5.01514e+03 Step Time 2880 2880.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02843e+03 6.06340e+03 1.98517e+04 2.43917e+02 -1.08942e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96168e+03 1.16750e+05 5.71929e+05 -4.08205e+06 9.94327e+03 Potential Pressure (bar) -3.35137e+06 -5.01591e+03 Step Time 2881 2881.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03022e+03 6.06064e+03 1.98518e+04 2.43951e+02 -1.08949e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96289e+03 1.16748e+05 5.71944e+05 -4.08207e+06 9.94301e+03 Potential Pressure (bar) -3.35138e+06 -5.01459e+03 Step Time 2882 2882.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04673e+03 6.06708e+03 1.98518e+04 2.43903e+02 -1.08942e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96136e+03 1.16751e+05 5.71958e+05 -4.08211e+06 9.94270e+03 Potential Pressure (bar) -3.35138e+06 -5.01579e+03 Step Time 2883 2883.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05469e+03 6.06338e+03 1.98519e+04 2.43952e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96313e+03 1.16747e+05 5.71974e+05 -4.08213e+06 9.94257e+03 Potential Pressure (bar) -3.35138e+06 -5.01399e+03 Step Time 2884 2884.00000 Step Time 2885 2885.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01069e+03 6.05965e+03 1.98518e+04 2.43916e+02 -1.08946e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96200e+03 1.16749e+05 5.71980e+05 -4.08215e+06 9.94226e+03 Potential Pressure (bar) -3.35144e+06 -5.01460e+03 Step Time 2886 2886.00000 Step Time 2887 2887.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02278e+03 6.05996e+03 1.98519e+04 2.43921e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96251e+03 1.16748e+05 5.72018e+05 -4.08222e+06 9.94164e+03 Potential Pressure (bar) -3.35146e+06 -5.01352e+03 Step Time 2888 2888.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01364e+03 6.06036e+03 1.98519e+04 2.43895e+02 -1.08947e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96171e+03 1.16749e+05 5.72027e+05 -4.08225e+06 9.94145e+03 Potential Pressure (bar) -3.35149e+06 -5.01405e+03 Step Time 2889 2889.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03194e+03 6.06094e+03 1.98519e+04 2.43912e+02 -1.08952e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96259e+03 1.16747e+05 5.72051e+05 -4.08229e+06 9.94103e+03 Potential Pressure (bar) -3.35149e+06 -5.01293e+03 Step Time 2890 2890.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02059e+03 6.06195e+03 1.98519e+04 2.43879e+02 -1.08947e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96143e+03 1.16749e+05 5.72062e+05 -4.08232e+06 9.94076e+03 Potential Pressure (bar) -3.35152e+06 -5.01371e+03 Step Time 2891 2891.00000 Step Time 2892 2892.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01220e+03 6.05906e+03 1.98520e+04 2.43893e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96206e+03 1.16748e+05 5.72072e+05 -4.08233e+06 9.94061e+03 Potential Pressure (bar) -3.35153e+06 -5.01291e+03 Step Time 2893 2893.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02780e+03 6.06338e+03 1.98520e+04 2.43860e+02 -1.08947e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96120e+03 1.16749e+05 5.72095e+05 -4.08239e+06 9.94016e+03 Potential Pressure (bar) -3.35154e+06 -5.01340e+03 Step Time 2894 2894.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01696e+03 6.05945e+03 1.98520e+04 2.43886e+02 -1.08952e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96213e+03 1.16747e+05 5.72106e+05 -4.08240e+06 9.93994e+03 Potential Pressure (bar) -3.35156e+06 -5.01228e+03 Step Time 2895 2895.00000 Step Time 2896 2896.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01227e+03 6.06005e+03 1.98520e+04 2.43865e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96151e+03 1.16748e+05 5.72116e+05 -4.08242e+06 9.93978e+03 Potential Pressure (bar) -3.35158e+06 -5.01265e+03 Step Time 2897 2897.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02204e+03 6.05996e+03 1.98521e+04 2.43877e+02 -1.08954e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96214e+03 1.16747e+05 5.72141e+05 -4.08247e+06 9.93937e+03 Potential Pressure (bar) -3.35159e+06 -5.01171e+03 Step Time 2898 2898.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01631e+03 6.06101e+03 1.98520e+04 2.43848e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96126e+03 1.16748e+05 5.72151e+05 -4.08250e+06 9.93912e+03 Potential Pressure (bar) -3.35161e+06 -5.01227e+03 Step Time 2899 2899.00000 Step Time 2900 2900.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01132e+03 6.05913e+03 1.98521e+04 2.43859e+02 -1.08953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96173e+03 1.16747e+05 5.72161e+05 -4.08251e+06 9.93895e+03 Potential Pressure (bar) -3.35163e+06 -5.01162e+03 Step Time 2901 2901.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02046e+03 6.06190e+03 1.98521e+04 2.43833e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96107e+03 1.16748e+05 5.72183e+05 -4.08256e+06 9.93854e+03 Potential Pressure (bar) -3.35164e+06 -5.01189e+03 Step Time 2902 2902.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01394e+03 6.05927e+03 1.98521e+04 2.43849e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96175e+03 1.16747e+05 5.72195e+05 -4.08258e+06 9.93829e+03 Potential Pressure (bar) -3.35165e+06 -5.01102e+03 Step Time 2903 2903.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02808e+03 6.06347e+03 1.98521e+04 2.43818e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96085e+03 1.16748e+05 5.72214e+05 -4.08262e+06 9.93803e+03 Potential Pressure (bar) -3.35166e+06 -5.01163e+03 Step Time 2904 2904.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02027e+03 6.05985e+03 1.98522e+04 2.43845e+02 -1.08956e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96183e+03 1.16746e+05 5.72226e+05 -4.08264e+06 9.93779e+03 Potential Pressure (bar) -3.35168e+06 -5.01042e+03 Step Time 2905 2905.00000 Step Time 2906 2906.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01199e+03 6.06002e+03 1.98521e+04 2.43824e+02 -1.08954e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96118e+03 1.16747e+05 5.72235e+05 -4.08266e+06 9.93759e+03 Potential Pressure (bar) -3.35170e+06 -5.01083e+03 Step Time 2907 2907.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02671e+03 6.06055e+03 1.98522e+04 2.43837e+02 -1.08958e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96184e+03 1.16745e+05 5.72267e+05 -4.08272e+06 9.93704e+03 Potential Pressure (bar) -3.35172e+06 -5.00975e+03 Step Time 2908 2908.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01597e+03 6.06100e+03 1.98522e+04 2.43803e+02 -1.08954e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96090e+03 1.16747e+05 5.72276e+05 -4.08274e+06 9.93686e+03 Potential Pressure (bar) -3.35174e+06 -5.01037e+03 Step Time 2909 2909.00000 Step Time 2910 2910.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01266e+03 6.05929e+03 1.98522e+04 2.43816e+02 -1.08957e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96141e+03 1.16746e+05 5.72288e+05 -4.08276e+06 9.93664e+03 Potential Pressure (bar) -3.35175e+06 -5.00968e+03 Step Time 2911 2911.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02024e+03 6.06191e+03 1.98522e+04 2.43793e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96071e+03 1.16747e+05 5.72305e+05 -4.08280e+06 9.93634e+03 Potential Pressure (bar) -3.35176e+06 -5.01006e+03 Step Time 2912 2912.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01627e+03 6.05957e+03 1.98523e+04 2.43810e+02 -1.08958e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96144e+03 1.16745e+05 5.72318e+05 -4.08282e+06 9.93611e+03 Potential Pressure (bar) -3.35178e+06 -5.00913e+03 Step Time 2913 2913.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02829e+03 6.06359e+03 1.98523e+04 2.43775e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96048e+03 1.16747e+05 5.72334e+05 -4.08286e+06 9.93587e+03 Potential Pressure (bar) -3.35178e+06 -5.00979e+03 Step Time 2914 2914.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02447e+03 6.06036e+03 1.98523e+04 2.43804e+02 -1.08960e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96155e+03 1.16745e+05 5.72348e+05 -4.08288e+06 9.93553e+03 Potential Pressure (bar) -3.35180e+06 -5.00855e+03 Step Time 2915 2915.00000 Step Time 2916 2916.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01176e+03 6.05999e+03 1.98523e+04 2.43782e+02 -1.08957e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96085e+03 1.16746e+05 5.72355e+05 -4.08290e+06 9.93541e+03 Potential Pressure (bar) -3.35182e+06 -5.00896e+03 Step Time 2917 2917.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03249e+03 6.06130e+03 1.98524e+04 2.43788e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96152e+03 1.16744e+05 5.72400e+05 -4.08298e+06 9.93463e+03 Potential Pressure (bar) -3.35184e+06 -5.00772e+03 Step Time 2918 2918.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01561e+03 6.06099e+03 1.98524e+04 2.43759e+02 -1.08958e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96053e+03 1.16746e+05 5.72408e+05 -4.08300e+06 9.93447e+03 Potential Pressure (bar) -3.35187e+06 -5.00835e+03 Step Time 2919 2919.00000 Step Time 2920 2920.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01447e+03 6.05951e+03 1.98524e+04 2.43769e+02 -1.08961e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96106e+03 1.16745e+05 5.72421e+05 -4.08303e+06 9.93420e+03 Potential Pressure (bar) -3.35188e+06 -5.00763e+03 Step Time 2921 2921.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01998e+03 6.06194e+03 1.98524e+04 2.43744e+02 -1.08958e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96033e+03 1.16746e+05 5.72436e+05 -4.08306e+06 9.93400e+03 Potential Pressure (bar) -3.35189e+06 -5.00809e+03 Step Time 2922 2922.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01927e+03 6.05992e+03 1.98524e+04 2.43764e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96112e+03 1.16744e+05 5.72449e+05 -4.08308e+06 9.93369e+03 Potential Pressure (bar) -3.35191e+06 -5.00707e+03 Step Time 2923 2923.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02852e+03 6.06371e+03 1.98524e+04 2.43732e+02 -1.08958e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96008e+03 1.16746e+05 5.72464e+05 -4.08312e+06 9.93348e+03 Potential Pressure (bar) -3.35191e+06 -5.00783e+03 Step Time 2924 2924.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02968e+03 6.06100e+03 1.98525e+04 2.43759e+02 -1.08963e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96124e+03 1.16744e+05 5.72478e+05 -4.08313e+06 9.93320e+03 Potential Pressure (bar) -3.35192e+06 -5.00652e+03 Step Time 2925 2925.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04546e+03 6.06712e+03 1.98524e+04 2.43716e+02 -1.08958e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95977e+03 1.16746e+05 5.72492e+05 -4.08317e+06 9.93302e+03 Potential Pressure (bar) -3.35192e+06 -5.00776e+03 Step Time 2926 2926.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05204e+03 6.06350e+03 1.98525e+04 2.43761e+02 -1.08965e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96146e+03 1.16743e+05 5.72507e+05 -4.08319e+06 9.93272e+03 Potential Pressure (bar) -3.35192e+06 -5.00597e+03 Step Time 2927 2927.00000 Step Time 2928 2928.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01200e+03 6.06017e+03 1.98525e+04 2.43727e+02 -1.08961e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96038e+03 1.16745e+05 5.72514e+05 -4.08321e+06 9.93246e+03 Potential Pressure (bar) -3.35198e+06 -5.00657e+03 Step Time 2929 2929.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07292e+03 6.06622e+03 1.98527e+04 2.43735e+02 -1.08967e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96140e+03 1.16742e+05 5.72586e+05 -4.08335e+06 9.93131e+03 Potential Pressure (bar) -3.35198e+06 -5.00474e+03 Step Time 2930 2930.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01905e+03 6.06183e+03 1.98526e+04 2.43688e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95988e+03 1.16745e+05 5.72593e+05 -4.08338e+06 9.93113e+03 Potential Pressure (bar) -3.35206e+06 -5.00566e+03 Step Time 2931 2931.00000 Step Time 2932 2932.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02410e+03 6.06053e+03 1.98527e+04 2.43708e+02 -1.08966e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96074e+03 1.16743e+05 5.72609e+05 -4.08340e+06 9.93084e+03 Potential Pressure (bar) -3.35207e+06 -5.00461e+03 Step Time 2933 2933.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02765e+03 6.06368e+03 1.98526e+04 2.43678e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95963e+03 1.16745e+05 5.72622e+05 -4.08343e+06 9.93068e+03 Potential Pressure (bar) -3.35208e+06 -5.00546e+03 Step Time 2934 2934.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03752e+03 6.06200e+03 1.98527e+04 2.43705e+02 -1.08968e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96087e+03 1.16742e+05 5.72638e+05 -4.08346e+06 9.93032e+03 Potential Pressure (bar) -3.35208e+06 -5.00405e+03 Step Time 2935 2935.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04545e+03 6.06730e+03 1.98526e+04 2.43663e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95930e+03 1.16745e+05 5.72650e+05 -4.08350e+06 9.93024e+03 Potential Pressure (bar) -3.35209e+06 -5.00539e+03 Step Time 2936 2936.00000 Step Time 2937 2937.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01191e+03 6.05967e+03 1.98527e+04 2.43681e+02 -1.08966e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96018e+03 1.16743e+05 5.72658e+05 -4.08350e+06 9.92990e+03 Potential Pressure (bar) -3.35214e+06 -5.00419e+03 Step Time 2938 2938.00000 Step Time 2939 2939.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02200e+03 6.06241e+03 1.98527e+04 2.43656e+02 -1.08965e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95954e+03 1.16744e+05 5.72686e+05 -4.08356e+06 9.92941e+03 Potential Pressure (bar) -3.35215e+06 -5.00434e+03 Step Time 2940 2940.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01369e+03 6.05968e+03 1.98527e+04 2.43672e+02 -1.08967e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96017e+03 1.16743e+05 5.72696e+05 -4.08358e+06 9.92927e+03 Potential Pressure (bar) -3.35217e+06 -5.00352e+03 Step Time 2941 2941.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02916e+03 6.06390e+03 1.98527e+04 2.43641e+02 -1.08965e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95932e+03 1.16744e+05 5.72717e+05 -4.08362e+06 9.92888e+03 Potential Pressure (bar) -3.35218e+06 -5.00401e+03 Step Time 2942 2942.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01843e+03 6.06006e+03 1.98528e+04 2.43665e+02 -1.08969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96024e+03 1.16742e+05 5.72729e+05 -4.08364e+06 9.92873e+03 Potential Pressure (bar) -3.35220e+06 -5.00290e+03 Step Time 2943 2943.00000 Step Time 2944 2944.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01378e+03 6.06067e+03 1.98528e+04 2.43649e+02 -1.08967e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95962e+03 1.16743e+05 5.72738e+05 -4.08366e+06 9.92852e+03 Potential Pressure (bar) -3.35221e+06 -5.00327e+03 Step Time 2945 2945.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02348e+03 6.06056e+03 1.98528e+04 2.43656e+02 -1.08970e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96025e+03 1.16741e+05 5.72763e+05 -4.08371e+06 9.92807e+03 Potential Pressure (bar) -3.35222e+06 -5.00233e+03 Step Time 2946 2946.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01778e+03 6.06162e+03 1.98528e+04 2.43628e+02 -1.08967e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95938e+03 1.16743e+05 5.72772e+05 -4.08373e+06 9.92790e+03 Potential Pressure (bar) -3.35224e+06 -5.00287e+03 Step Time 2947 2947.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03313e+03 6.06161e+03 1.98529e+04 2.43654e+02 -1.08972e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.96034e+03 1.16741e+05 5.72793e+05 -4.08377e+06 9.92756e+03 Potential Pressure (bar) -3.35224e+06 -5.00176e+03 Step Time 2948 2948.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02676e+03 6.06356e+03 1.98528e+04 2.43611e+02 -1.08967e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95910e+03 1.16743e+05 5.72804e+05 -4.08380e+06 9.92742e+03 Potential Pressure (bar) -3.35226e+06 -5.00266e+03 Step Time 2949 2949.00000 Step Time 2950 2950.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01328e+03 6.05979e+03 1.98529e+04 2.43628e+02 -1.08971e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95978e+03 1.16742e+05 5.72813e+05 -4.08381e+06 9.92721e+03 Potential Pressure (bar) -3.35229e+06 -5.00179e+03 Step Time 2951 2951.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03581e+03 6.06532e+03 1.98528e+04 2.43597e+02 -1.08967e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95884e+03 1.16743e+05 5.72840e+05 -4.08387e+06 9.92670e+03 Potential Pressure (bar) -3.35229e+06 -5.00232e+03 Step Time 2952 2952.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01779e+03 6.06010e+03 1.98529e+04 2.43624e+02 -1.08972e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95984e+03 1.16741e+05 5.72851e+05 -4.08388e+06 9.92656e+03 Potential Pressure (bar) -3.35232e+06 -5.00110e+03 Step Time 2953 2953.00000 Step Time 2954 2954.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01581e+03 6.06120e+03 1.98529e+04 2.43600e+02 -1.08970e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95918e+03 1.16742e+05 5.72861e+05 -4.08391e+06 9.92636e+03 Potential Pressure (bar) -3.35233e+06 -5.00148e+03 Step Time 2955 2955.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02293e+03 6.06059e+03 1.98529e+04 2.43617e+02 -1.08973e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95987e+03 1.16741e+05 5.72881e+05 -4.08394e+06 9.92600e+03 Potential Pressure (bar) -3.35234e+06 -5.00055e+03 Step Time 2956 2956.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02119e+03 6.06240e+03 1.98529e+04 2.43584e+02 -1.08969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95895e+03 1.16742e+05 5.72892e+05 -4.08396e+06 9.92584e+03 Potential Pressure (bar) -3.35236e+06 -5.00118e+03 Step Time 2957 2957.00000 Step Time 2958 2958.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01258e+03 6.05987e+03 1.98530e+04 2.43598e+02 -1.08972e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95945e+03 1.16741e+05 5.72900e+05 -4.08398e+06 9.92565e+03 Potential Pressure (bar) -3.35237e+06 -5.00050e+03 Step Time 2959 2959.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02657e+03 6.06346e+03 1.98530e+04 2.43564e+02 -1.08970e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95872e+03 1.16742e+05 5.72931e+05 -4.08404e+06 9.92517e+03 Potential Pressure (bar) -3.35239e+06 -5.00074e+03 Step Time 2960 2960.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01487e+03 6.05997e+03 1.98530e+04 2.43588e+02 -1.08974e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95946e+03 1.16740e+05 5.72940e+05 -4.08406e+06 9.92496e+03 Potential Pressure (bar) -3.35241e+06 -4.99983e+03 Step Time 2961 2961.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03613e+03 6.06538e+03 1.98530e+04 2.43552e+02 -1.08970e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95848e+03 1.16742e+05 5.72962e+05 -4.08411e+06 9.92468e+03 Potential Pressure (bar) -3.35242e+06 -5.00044e+03 Step Time 2962 2962.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02114e+03 6.06049e+03 1.98531e+04 2.43584e+02 -1.08975e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95955e+03 1.16740e+05 5.72973e+05 -4.08413e+06 9.92440e+03 Potential Pressure (bar) -3.35244e+06 -4.99918e+03 Step Time 2963 2963.00000 Step Time 2964 2964.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01525e+03 6.06111e+03 1.98530e+04 2.43559e+02 -1.08972e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95885e+03 1.16741e+05 5.72982e+05 -4.08415e+06 9.92419e+03 Potential Pressure (bar) -3.35246e+06 -4.99962e+03 Step Time 2965 2965.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02780e+03 6.06119e+03 1.98531e+04 2.43577e+02 -1.08976e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95958e+03 1.16739e+05 5.73006e+05 -4.08419e+06 9.92389e+03 Potential Pressure (bar) -3.35247e+06 -4.99861e+03 Step Time 2966 2966.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02064e+03 6.06234e+03 1.98531e+04 2.43539e+02 -1.08973e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95859e+03 1.16741e+05 5.73016e+05 -4.08422e+06 9.92365e+03 Potential Pressure (bar) -3.35249e+06 -4.99931e+03 Step Time 2967 2967.00000 Step Time 2968 2968.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01374e+03 6.05999e+03 1.98531e+04 2.43555e+02 -1.08975e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95914e+03 1.16740e+05 5.73026e+05 -4.08423e+06 9.92349e+03 Potential Pressure (bar) -3.35250e+06 -4.99859e+03 Step Time 2969 2969.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02617e+03 6.06348e+03 1.98531e+04 2.43527e+02 -1.08973e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95838e+03 1.16741e+05 5.73048e+05 -4.08428e+06 9.92313e+03 Potential Pressure (bar) -3.35252e+06 -4.99896e+03 Step Time 2970 2970.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01714e+03 6.06020e+03 1.98531e+04 2.43549e+02 -1.08977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95917e+03 1.16739e+05 5.73059e+05 -4.08430e+06 9.92289e+03 Potential Pressure (bar) -3.35254e+06 -4.99796e+03 Step Time 2971 2971.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03631e+03 6.06551e+03 1.98531e+04 2.43512e+02 -1.08972e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95813e+03 1.16741e+05 5.73078e+05 -4.08434e+06 9.92261e+03 Potential Pressure (bar) -3.35254e+06 -4.99873e+03 Step Time 2972 2972.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02544e+03 6.06101e+03 1.98532e+04 2.43547e+02 -1.08978e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95929e+03 1.16739e+05 5.73090e+05 -4.08436e+06 9.92239e+03 Potential Pressure (bar) -3.35255e+06 -4.99739e+03 Step Time 2973 2973.00000 Step Time 2974 2974.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01473e+03 6.06103e+03 1.98532e+04 2.43519e+02 -1.08975e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95854e+03 1.16740e+05 5.73097e+05 -4.08438e+06 9.92225e+03 Potential Pressure (bar) -3.35258e+06 -4.99785e+03 Step Time 2975 2975.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03391e+03 6.06195e+03 1.98532e+04 2.43533e+02 -1.08980e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95932e+03 1.16738e+05 5.73127e+05 -4.08443e+06 9.92167e+03 Potential Pressure (bar) -3.35258e+06 -4.99673e+03 Step Time 2976 2976.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02004e+03 6.06226e+03 1.98532e+04 2.43499e+02 -1.08975e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95825e+03 1.16740e+05 5.73136e+05 -4.08445e+06 9.92159e+03 Potential Pressure (bar) -3.35261e+06 -4.99742e+03 Step Time 2977 2977.00000 Step Time 2978 2978.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01540e+03 6.06017e+03 1.98532e+04 2.43514e+02 -1.08978e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95883e+03 1.16739e+05 5.73148e+05 -4.08447e+06 9.92135e+03 Potential Pressure (bar) -3.35262e+06 -4.99667e+03 Step Time 2979 2979.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02571e+03 6.06344e+03 1.98532e+04 2.43486e+02 -1.08975e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95804e+03 1.16740e+05 5.73165e+05 -4.08451e+06 9.92105e+03 Potential Pressure (bar) -3.35263e+06 -4.99715e+03 Step Time 2980 2980.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02010e+03 6.06057e+03 1.98533e+04 2.43507e+02 -1.08979e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95889e+03 1.16738e+05 5.73177e+05 -4.08453e+06 9.92086e+03 Potential Pressure (bar) -3.35265e+06 -4.99610e+03 Step Time 2981 2981.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03645e+03 6.06559e+03 1.98532e+04 2.43469e+02 -1.08974e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95778e+03 1.16740e+05 5.73193e+05 -4.08457e+06 9.92059e+03 Potential Pressure (bar) -3.35265e+06 -4.99694e+03 Step Time 2982 2982.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03090e+03 6.06166e+03 1.98533e+04 2.43506e+02 -1.08981e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95903e+03 1.16738e+05 5.73206e+05 -4.08459e+06 9.92034e+03 Potential Pressure (bar) -3.35267e+06 -4.99554e+03 Step Time 2983 2983.00000 Step Time 2984 2984.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01428e+03 6.06093e+03 1.98533e+04 2.43479e+02 -1.08977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95822e+03 1.16739e+05 5.73213e+05 -4.08461e+06 9.92023e+03 Potential Pressure (bar) -3.35270e+06 -4.99602e+03 Step Time 2985 2985.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04144e+03 6.06294e+03 1.98534e+04 2.43491e+02 -1.08983e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95903e+03 1.16737e+05 5.73253e+05 -4.08468e+06 9.91954e+03 Potential Pressure (bar) -3.35270e+06 -4.99477e+03 Step Time 2986 2986.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01944e+03 6.06219e+03 1.98533e+04 2.43453e+02 -1.08977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95789e+03 1.16739e+05 5.73261e+05 -4.08471e+06 9.91936e+03 Potential Pressure (bar) -3.35274e+06 -4.99552e+03 Step Time 2987 2987.00000 Step Time 2988 2988.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01763e+03 6.06041e+03 1.98534e+04 2.43470e+02 -1.08981e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95852e+03 1.16738e+05 5.73274e+05 -4.08473e+06 9.91914e+03 Potential Pressure (bar) -3.35275e+06 -4.99472e+03 Step Time 2989 2989.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02524e+03 6.06341e+03 1.98534e+04 2.43441e+02 -1.08977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95768e+03 1.16739e+05 5.73289e+05 -4.08476e+06 9.91893e+03 Potential Pressure (bar) -3.35276e+06 -4.99525e+03 Step Time 2990 2990.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02393e+03 6.06100e+03 1.98534e+04 2.43468e+02 -1.08982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95860e+03 1.16737e+05 5.73301e+05 -4.08478e+06 9.91874e+03 Potential Pressure (bar) -3.35278e+06 -4.99415e+03 Step Time 2991 2991.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03657e+03 6.06573e+03 1.98534e+04 2.43429e+02 -1.08977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95741e+03 1.16739e+05 5.73316e+05 -4.08482e+06 9.91852e+03 Potential Pressure (bar) -3.35278e+06 -4.99508e+03 Step Time 2992 2992.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03765e+03 6.06248e+03 1.98535e+04 2.43465e+02 -1.08983e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95876e+03 1.16737e+05 5.73330e+05 -4.08483e+06 9.91823e+03 Potential Pressure (bar) -3.35278e+06 -4.99360e+03 Step Time 2993 2993.00000 Step Time 2994 2994.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01393e+03 6.06089e+03 1.98534e+04 2.43435e+02 -1.08980e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95789e+03 1.16738e+05 5.73337e+05 -4.08485e+06 9.91806e+03 Potential Pressure (bar) -3.35282e+06 -4.99410e+03 Step Time 2995 2995.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05067e+03 6.06412e+03 1.98535e+04 2.43455e+02 -1.08985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95870e+03 1.16736e+05 5.73396e+05 -4.08496e+06 9.91709e+03 Potential Pressure (bar) -3.35283e+06 -4.99254e+03 Step Time 2996 2996.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01891e+03 6.06209e+03 1.98535e+04 2.43411e+02 -1.08980e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95748e+03 1.16738e+05 5.73403e+05 -4.08498e+06 9.91696e+03 Potential Pressure (bar) -3.35288e+06 -4.99334e+03 Step Time 2997 2997.00000 Step Time 2998 2998.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02059e+03 6.06079e+03 1.98535e+04 2.43424e+02 -1.08983e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95815e+03 1.16736e+05 5.73418e+05 -4.08501e+06 9.91669e+03 Potential Pressure (bar) -3.35289e+06 -4.99246e+03 Step Time 2999 2999.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02479e+03 6.06337e+03 1.98535e+04 2.43393e+02 -1.08980e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95726e+03 1.16738e+05 5.73430e+05 -4.08504e+06 9.91649e+03 Potential Pressure (bar) -3.35290e+06 -4.99311e+03 Step Time 3000 3000.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02878e+03 6.06163e+03 1.98536e+04 2.43422e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95825e+03 1.16736e+05 5.73445e+05 -4.08506e+06 9.91618e+03 Potential Pressure (bar) -3.35291e+06 -4.99194e+03 Step Time 3001 3001.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03675e+03 6.06581e+03 1.98535e+04 2.43380e+02 -1.08980e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95697e+03 1.16738e+05 5.73457e+05 -4.08509e+06 9.91607e+03 Potential Pressure (bar) -3.35292e+06 -4.99295e+03 Step Time 3002 3002.00000 Step Time 3003 3003.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01353e+03 6.06048e+03 1.98536e+04 2.43396e+02 -1.08983e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95768e+03 1.16737e+05 5.73465e+05 -4.08511e+06 9.91584e+03 Potential Pressure (bar) -3.35295e+06 -4.99199e+03 Step Time 3004 3004.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04853e+03 6.06771e+03 1.98536e+04 2.43347e+02 -1.08980e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95659e+03 1.16738e+05 5.73530e+05 -4.08524e+06 9.91479e+03 Potential Pressure (bar) -3.35298e+06 -4.99204e+03 Step Time 3005 3005.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01624e+03 6.06051e+03 1.98537e+04 2.43373e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95762e+03 1.16736e+05 5.73539e+05 -4.08525e+06 9.91455e+03 Potential Pressure (bar) -3.35302e+06 -4.99073e+03 Step Time 3006 3006.00000 Step Time 3007 3007.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02199e+03 6.06275e+03 1.98536e+04 2.43349e+02 -1.08982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95695e+03 1.16737e+05 5.73554e+05 -4.08529e+06 9.91430e+03 Potential Pressure (bar) -3.35303e+06 -4.99111e+03 Step Time 3008 3008.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02018e+03 6.06083e+03 1.98537e+04 2.43368e+02 -1.08985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95767e+03 1.16735e+05 5.73567e+05 -4.08530e+06 9.91418e+03 Potential Pressure (bar) -3.35304e+06 -4.99023e+03 Step Time 3009 3009.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02952e+03 6.06433e+03 1.98537e+04 2.43335e+02 -1.08982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95671e+03 1.16737e+05 5.73581e+05 -4.08534e+06 9.91392e+03 Potential Pressure (bar) -3.35305e+06 -4.99089e+03 Step Time 3010 3010.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02881e+03 6.06170e+03 1.98537e+04 2.43365e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95779e+03 1.16735e+05 5.73594e+05 -4.08536e+06 9.91363e+03 Potential Pressure (bar) -3.35306e+06 -4.98968e+03 Step Time 3011 3011.00000 Step Time 3012 3012.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01440e+03 6.06103e+03 1.98537e+04 2.43341e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95709e+03 1.16736e+05 5.73601e+05 -4.08538e+06 9.91349e+03 Potential Pressure (bar) -3.35309e+06 -4.99007e+03 Step Time 3013 3013.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03716e+03 6.06270e+03 1.98538e+04 2.43349e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95772e+03 1.16734e+05 5.73655e+05 -4.08548e+06 9.91260e+03 Potential Pressure (bar) -3.35311e+06 -4.98867e+03 Step Time 3014 3014.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01783e+03 6.06194e+03 1.98538e+04 2.43315e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95673e+03 1.16736e+05 5.73663e+05 -4.08550e+06 9.91245e+03 Potential Pressure (bar) -3.35314e+06 -4.98933e+03 Step Time 3015 3015.00000 Step Time 3016 3016.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01823e+03 6.06075e+03 1.98538e+04 2.43328e+02 -1.08987e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95727e+03 1.16735e+05 5.73676e+05 -4.08552e+06 9.91222e+03 Potential Pressure (bar) -3.35316e+06 -4.98859e+03 Step Time 3017 3017.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02180e+03 6.06283e+03 1.98538e+04 2.43304e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95654e+03 1.16736e+05 5.73689e+05 -4.08555e+06 9.91203e+03 Potential Pressure (bar) -3.35316e+06 -4.98903e+03 Step Time 3018 3018.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02335e+03 6.06125e+03 1.98539e+04 2.43325e+02 -1.08988e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95733e+03 1.16734e+05 5.73704e+05 -4.08557e+06 9.91177e+03 Potential Pressure (bar) -3.35317e+06 -4.98808e+03 Step Time 3019 3019.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02979e+03 6.06450e+03 1.98538e+04 2.43289e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95629e+03 1.16736e+05 5.73716e+05 -4.08561e+06 9.91160e+03 Potential Pressure (bar) -3.35319e+06 -4.98885e+03 Step Time 3020 3020.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03417e+03 6.06240e+03 1.98539e+04 2.43318e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95745e+03 1.16734e+05 5.73730e+05 -4.08563e+06 9.91131e+03 Potential Pressure (bar) -3.35319e+06 -4.98754e+03 Step Time 3021 3021.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04588e+03 6.06774e+03 1.98538e+04 2.43272e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95599e+03 1.16736e+05 5.73743e+05 -4.08566e+06 9.91116e+03 Potential Pressure (bar) -3.35320e+06 -4.98872e+03 Step Time 3022 3022.00000 Step Time 3023 3023.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01422e+03 6.06074e+03 1.98539e+04 2.43291e+02 -1.08987e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95680e+03 1.16734e+05 5.73750e+05 -4.08567e+06 9.91095e+03 Potential Pressure (bar) -3.35324e+06 -4.98763e+03 Step Time 3024 3024.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06184e+03 6.07017e+03 1.98539e+04 2.43243e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95556e+03 1.16736e+05 5.73824e+05 -4.08583e+06 9.90977e+03 Potential Pressure (bar) -3.35326e+06 -4.98779e+03 Step Time 3025 3025.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01763e+03 6.06082e+03 1.98540e+04 2.43275e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95674e+03 1.16734e+05 5.73832e+05 -4.08584e+06 9.90960e+03 Potential Pressure (bar) -3.35332e+06 -4.98626e+03 Step Time 3026 3026.00000 Step Time 3027 3027.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02594e+03 6.06364e+03 1.98540e+04 2.43244e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95596e+03 1.16735e+05 5.73848e+05 -4.08587e+06 9.90929e+03 Potential Pressure (bar) -3.35333e+06 -4.98673e+03 Step Time 3028 3028.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02277e+03 6.06129e+03 1.98540e+04 2.43270e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95682e+03 1.16733e+05 5.73860e+05 -4.08589e+06 9.90911e+03 Potential Pressure (bar) -3.35334e+06 -4.98571e+03 Step Time 3029 3029.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03610e+03 6.06572e+03 1.98540e+04 2.43228e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95572e+03 1.16735e+05 5.73874e+05 -4.08592e+06 9.90887e+03 Potential Pressure (bar) -3.35334e+06 -4.98652e+03 Step Time 3030 3030.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03416e+03 6.06249e+03 1.98541e+04 2.43266e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95696e+03 1.16732e+05 5.73888e+05 -4.08594e+06 9.90868e+03 Potential Pressure (bar) -3.35335e+06 -4.98517e+03 Step Time 3031 3031.00000 Step Time 3032 3032.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01545e+03 6.06140e+03 1.98540e+04 2.43239e+02 -1.08988e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95615e+03 1.16734e+05 5.73894e+05 -4.08596e+06 9.90848e+03 Potential Pressure (bar) -3.35338e+06 -4.98562e+03 Step Time 3033 3033.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04515e+03 6.06390e+03 1.98541e+04 2.43251e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95693e+03 1.16732e+05 5.73942e+05 -4.08605e+06 9.90775e+03 Potential Pressure (bar) -3.35339e+06 -4.98430e+03 Step Time 3034 3034.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02008e+03 6.06255e+03 1.98541e+04 2.43210e+02 -1.08987e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95579e+03 1.16734e+05 5.73949e+05 -4.08607e+06 9.90757e+03 Potential Pressure (bar) -3.35344e+06 -4.98497e+03 Step Time 3035 3035.00000 Step Time 3036 3036.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02016e+03 6.06112e+03 1.98541e+04 2.43227e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95642e+03 1.16732e+05 5.73963e+05 -4.08609e+06 9.90736e+03 Potential Pressure (bar) -3.35345e+06 -4.98420e+03 Step Time 3037 3037.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02548e+03 6.06369e+03 1.98541e+04 2.43196e+02 -1.08987e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95558e+03 1.16734e+05 5.73976e+05 -4.08612e+06 9.90716e+03 Potential Pressure (bar) -3.35345e+06 -4.98474e+03 Step Time 3038 3038.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02688e+03 6.06181e+03 1.98542e+04 2.43225e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95650e+03 1.16732e+05 5.73989e+05 -4.08614e+06 9.90691e+03 Potential Pressure (bar) -3.35346e+06 -4.98368e+03 Step Time 3039 3039.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03624e+03 6.06587e+03 1.98541e+04 2.43183e+02 -1.08987e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95532e+03 1.16734e+05 5.74003e+05 -4.08618e+06 9.90672e+03 Potential Pressure (bar) -3.35347e+06 -4.98457e+03 Step Time 3040 3040.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04121e+03 6.06339e+03 1.98542e+04 2.43225e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95666e+03 1.16731e+05 5.74017e+05 -4.08620e+06 9.90652e+03 Potential Pressure (bar) -3.35347e+06 -4.98316e+03 Step Time 3041 3041.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05787e+03 6.07016e+03 1.98542e+04 2.43168e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95498e+03 1.16734e+05 5.74029e+05 -4.08623e+06 9.90635e+03 Potential Pressure (bar) -3.35347e+06 -4.98451e+03 Step Time 3042 3042.00000 Step Time 3043 3043.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01491e+03 6.06098e+03 1.98542e+04 2.43196e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95592e+03 1.16732e+05 5.74036e+05 -4.08624e+06 9.90609e+03 Potential Pressure (bar) -3.35353e+06 -4.98326e+03 Step Time 3044 3044.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07944e+03 6.07340e+03 1.98543e+04 2.43130e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95449e+03 1.16734e+05 5.74118e+05 -4.08641e+06 9.90481e+03 Potential Pressure (bar) -3.35354e+06 -4.98351e+03 Step Time 3045 3045.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01921e+03 6.06112e+03 1.98543e+04 2.43173e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95586e+03 1.16731e+05 5.74126e+05 -4.08642e+06 9.90467e+03 Potential Pressure (bar) -3.35361e+06 -4.98174e+03 Step Time 3046 3046.00000 Step Time 3047 3047.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03099e+03 6.06473e+03 1.98543e+04 2.43133e+02 -1.08988e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95498e+03 1.16733e+05 5.74142e+05 -4.08645e+06 9.90437e+03 Potential Pressure (bar) -3.35362e+06 -4.98231e+03 Step Time 3048 3048.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02601e+03 6.06175e+03 1.98544e+04 2.43166e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95597e+03 1.16731e+05 5.74154e+05 -4.08647e+06 9.90427e+03 Potential Pressure (bar) -3.35363e+06 -4.98117e+03 Step Time 3049 3049.00000 Step Time 3050 3050.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01617e+03 6.06162e+03 1.98543e+04 2.43141e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95532e+03 1.16732e+05 5.74161e+05 -4.08649e+06 9.90407e+03 Potential Pressure (bar) -3.35365e+06 -4.98155e+03 Step Time 3051 3051.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03278e+03 6.06252e+03 1.98544e+04 2.43157e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95595e+03 1.16730e+05 5.74197e+05 -4.08656e+06 9.90341e+03 Potential Pressure (bar) -3.35367e+06 -4.98047e+03 Step Time 3052 3052.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01966e+03 6.06253e+03 1.98544e+04 2.43121e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95503e+03 1.16732e+05 5.74205e+05 -4.08658e+06 9.90326e+03 Potential Pressure (bar) -3.35370e+06 -4.98102e+03 Step Time 3053 3053.00000 Step Time 3054 3054.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01790e+03 6.06109e+03 1.98544e+04 2.43137e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95553e+03 1.16731e+05 5.74217e+05 -4.08660e+06 9.90309e+03 Potential Pressure (bar) -3.35371e+06 -4.98036e+03 Step Time 3055 3055.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02356e+03 6.06338e+03 1.98544e+04 2.43109e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95484e+03 1.16732e+05 5.74232e+05 -4.08663e+06 9.90288e+03 Potential Pressure (bar) -3.35372e+06 -4.98074e+03 Step Time 3056 3056.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02181e+03 6.06141e+03 1.98545e+04 2.43132e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95557e+03 1.16730e+05 5.74244e+05 -4.08665e+06 9.90265e+03 Potential Pressure (bar) -3.35373e+06 -4.97986e+03 Step Time 3057 3057.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03111e+03 6.06496e+03 1.98544e+04 2.43097e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95461e+03 1.16732e+05 5.74258e+05 -4.08669e+06 9.90245e+03 Potential Pressure (bar) -3.35374e+06 -4.98056e+03 Step Time 3058 3058.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03041e+03 6.06228e+03 1.98545e+04 2.43131e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95568e+03 1.16730e+05 5.74271e+05 -4.08671e+06 9.90224e+03 Potential Pressure (bar) -3.35375e+06 -4.97937e+03 Step Time 3059 3059.00000 Step Time 3060 3060.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01598e+03 6.06160e+03 1.98545e+04 2.43104e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95499e+03 1.16731e+05 5.74278e+05 -4.08672e+06 9.90209e+03 Potential Pressure (bar) -3.35377e+06 -4.97975e+03 Step Time 3061 3061.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03864e+03 6.06326e+03 1.98546e+04 2.43112e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95562e+03 1.16729e+05 5.74329e+05 -4.08682e+06 9.90120e+03 Potential Pressure (bar) -3.35380e+06 -4.97840e+03 Step Time 3062 3062.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01937e+03 6.06250e+03 1.98545e+04 2.43076e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95464e+03 1.16731e+05 5.74337e+05 -4.08684e+06 9.90114e+03 Potential Pressure (bar) -3.35383e+06 -4.97900e+03 Step Time 3063 3063.00000 Step Time 3064 3064.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01979e+03 6.06129e+03 1.98546e+04 2.43090e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95517e+03 1.16730e+05 5.74351e+05 -4.08686e+06 9.90081e+03 Potential Pressure (bar) -3.35384e+06 -4.97827e+03 Step Time 3065 3065.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02334e+03 6.06339e+03 1.98546e+04 2.43063e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95445e+03 1.16731e+05 5.74363e+05 -4.08689e+06 9.90070e+03 Potential Pressure (bar) -3.35385e+06 -4.97871e+03 Step Time 3066 3066.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02490e+03 6.06176e+03 1.98546e+04 2.43088e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95523e+03 1.16729e+05 5.74377e+05 -4.08692e+06 9.90044e+03 Potential Pressure (bar) -3.35386e+06 -4.97778e+03 Step Time 3067 3067.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03129e+03 6.06506e+03 1.98546e+04 2.43051e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95420e+03 1.16731e+05 5.74389e+05 -4.08695e+06 9.90025e+03 Potential Pressure (bar) -3.35387e+06 -4.97852e+03 Step Time 3068 3068.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03568e+03 6.06289e+03 1.98547e+04 2.43086e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95535e+03 1.16729e+05 5.74403e+05 -4.08697e+06 9.90004e+03 Potential Pressure (bar) -3.35388e+06 -4.97724e+03 Step Time 3069 3069.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04735e+03 6.06830e+03 1.98546e+04 2.43036e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95389e+03 1.16731e+05 5.74415e+05 -4.08700e+06 9.89989e+03 Potential Pressure (bar) -3.35388e+06 -4.97841e+03 Step Time 3070 3070.00000 Step Time 3071 3071.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01577e+03 6.06127e+03 1.98547e+04 2.43060e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95470e+03 1.16730e+05 5.74422e+05 -4.08701e+06 9.89962e+03 Potential Pressure (bar) -3.35392e+06 -4.97736e+03 Step Time 3072 3072.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06321e+03 6.07082e+03 1.98547e+04 2.43005e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95346e+03 1.16731e+05 5.74494e+05 -4.08716e+06 9.89848e+03 Potential Pressure (bar) -3.35394e+06 -4.97750e+03 Step Time 3073 3073.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01917e+03 6.06133e+03 1.98548e+04 2.43041e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95465e+03 1.16729e+05 5.74502e+05 -4.08717e+06 9.89838e+03 Potential Pressure (bar) -3.35399e+06 -4.97598e+03 Step Time 3074 3074.00000 Step Time 3075 3075.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02742e+03 6.06422e+03 1.98547e+04 2.43012e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95388e+03 1.16730e+05 5.74517e+05 -4.08720e+06 9.89809e+03 Potential Pressure (bar) -3.35400e+06 -4.97646e+03 Step Time 3076 3076.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02429e+03 6.06178e+03 1.98548e+04 2.43038e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95473e+03 1.16728e+05 5.74529e+05 -4.08722e+06 9.89788e+03 Potential Pressure (bar) -3.35401e+06 -4.97547e+03 Step Time 3077 3077.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03755e+03 6.06631e+03 1.98548e+04 2.42995e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95363e+03 1.16730e+05 5.74543e+05 -4.08725e+06 9.89772e+03 Potential Pressure (bar) -3.35402e+06 -4.97628e+03 Step Time 3078 3078.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03564e+03 6.06294e+03 1.98548e+04 2.43035e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95486e+03 1.16728e+05 5.74555e+05 -4.08727e+06 9.89753e+03 Potential Pressure (bar) -3.35403e+06 -4.97494e+03 Step Time 3079 3079.00000 Step Time 3080 3080.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01697e+03 6.06195e+03 1.98548e+04 2.43005e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95406e+03 1.16729e+05 5.74562e+05 -4.08729e+06 9.89737e+03 Potential Pressure (bar) -3.35406e+06 -4.97539e+03 Step Time 3081 3081.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04659e+03 6.06428e+03 1.98549e+04 2.43024e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95486e+03 1.16727e+05 5.74609e+05 -4.08737e+06 9.89660e+03 Potential Pressure (bar) -3.35407e+06 -4.97408e+03 Step Time 3082 3082.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02158e+03 6.06308e+03 1.98549e+04 2.42978e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95371e+03 1.16729e+05 5.74616e+05 -4.08740e+06 9.89644e+03 Potential Pressure (bar) -3.35411e+06 -4.97475e+03 Step Time 3083 3083.00000 Step Time 3084 3084.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02166e+03 6.06160e+03 1.98549e+04 2.42998e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95433e+03 1.16728e+05 5.74629e+05 -4.08742e+06 9.89622e+03 Potential Pressure (bar) -3.35412e+06 -4.97398e+03 Step Time 3085 3085.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02695e+03 6.06425e+03 1.98549e+04 2.42969e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95350e+03 1.16729e+05 5.74642e+05 -4.08745e+06 9.89606e+03 Potential Pressure (bar) -3.35413e+06 -4.97453e+03 Step Time 3086 3086.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02836e+03 6.06224e+03 1.98549e+04 2.42993e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95441e+03 1.16727e+05 5.74656e+05 -4.08747e+06 9.89583e+03 Potential Pressure (bar) -3.35413e+06 -4.97348e+03 Step Time 3087 3087.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03766e+03 6.06645e+03 1.98549e+04 2.42954e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95323e+03 1.16729e+05 5.74668e+05 -4.08750e+06 9.89568e+03 Potential Pressure (bar) -3.35414e+06 -4.97437e+03 Step Time 3088 3088.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04264e+03 6.06379e+03 1.98550e+04 2.42994e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95458e+03 1.16727e+05 5.74681e+05 -4.08752e+06 9.89550e+03 Potential Pressure (bar) -3.35415e+06 -4.97297e+03 Step Time 3089 3089.00000 Step Time 3090 3090.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01674e+03 6.06188e+03 1.98550e+04 2.42962e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95371e+03 1.16728e+05 5.74687e+05 -4.08754e+06 9.89533e+03 Potential Pressure (bar) -3.35419e+06 -4.97346e+03 Step Time 3091 3091.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05584e+03 6.06546e+03 1.98551e+04 2.42979e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95449e+03 1.16726e+05 5.74762e+05 -4.08768e+06 9.89414e+03 Potential Pressure (bar) -3.35421e+06 -4.97167e+03 Step Time 3092 3092.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02117e+03 6.06298e+03 1.98550e+04 2.42929e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95325e+03 1.16728e+05 5.74769e+05 -4.08770e+06 9.89396e+03 Potential Pressure (bar) -3.35426e+06 -4.97242e+03 Step Time 3093 3093.00000 Step Time 3094 3094.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02474e+03 6.06196e+03 1.98551e+04 2.42948e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95392e+03 1.16727e+05 5.74784e+05 -4.08773e+06 9.89369e+03 Potential Pressure (bar) -3.35427e+06 -4.97157e+03 Step Time 3095 3095.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02660e+03 6.06419e+03 1.98551e+04 2.42916e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95303e+03 1.16728e+05 5.74795e+05 -4.08775e+06 9.89355e+03 Potential Pressure (bar) -3.35428e+06 -4.97218e+03 Step Time 3096 3096.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03332e+03 6.06286e+03 1.98551e+04 2.42946e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95402e+03 1.16726e+05 5.74810e+05 -4.08777e+06 9.89333e+03 Potential Pressure (bar) -3.35429e+06 -4.97105e+03 Step Time 3097 3097.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03784e+03 6.06654e+03 1.98551e+04 2.42904e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95276e+03 1.16728e+05 5.74822e+05 -4.08780e+06 9.89318e+03 Potential Pressure (bar) -3.35429e+06 -4.97202e+03 Step Time 3098 3098.00000 Step Time 3099 3099.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01686e+03 6.06152e+03 1.98551e+04 2.42920e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95346e+03 1.16727e+05 5.74829e+05 -4.08781e+06 9.89299e+03 Potential Pressure (bar) -3.35432e+06 -4.97110e+03 Step Time 3100 3100.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04891e+03 6.06842e+03 1.98552e+04 2.42880e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95244e+03 1.16728e+05 5.74875e+05 -4.08791e+06 9.89226e+03 Potential Pressure (bar) -3.35434e+06 -4.97139e+03 Step Time 3101 3101.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02001e+03 6.06161e+03 1.98552e+04 2.42907e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95346e+03 1.16726e+05 5.74883e+05 -4.08792e+06 9.89214e+03 Potential Pressure (bar) -3.35438e+06 -4.97014e+03 Step Time 3102 3102.00000 Step Time 3103 3103.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02386e+03 6.06357e+03 1.98552e+04 2.42884e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95278e+03 1.16727e+05 5.74896e+05 -4.08795e+06 9.89189e+03 Potential Pressure (bar) -3.35439e+06 -4.97054e+03 Step Time 3104 3104.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02423e+03 6.06195e+03 1.98553e+04 2.42906e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95351e+03 1.16726e+05 5.74909e+05 -4.08797e+06 9.89169e+03 Potential Pressure (bar) -3.35440e+06 -4.96963e+03 Step Time 3105 3105.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03090e+03 6.06507e+03 1.98552e+04 2.42870e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95256e+03 1.16727e+05 5.74922e+05 -4.08800e+06 9.89149e+03 Potential Pressure (bar) -3.35441e+06 -4.97033e+03 Step Time 3106 3106.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03325e+03 6.06286e+03 1.98553e+04 2.42903e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95362e+03 1.16725e+05 5.74935e+05 -4.08802e+06 9.89128e+03 Potential Pressure (bar) -3.35441e+06 -4.96912e+03 Step Time 3107 3107.00000 Step Time 3108 3108.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01717e+03 6.06196e+03 1.98553e+04 2.42875e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95293e+03 1.16726e+05 5.74941e+05 -4.08804e+06 9.89119e+03 Potential Pressure (bar) -3.35444e+06 -4.96957e+03 Step Time 3109 3109.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04181e+03 6.06398e+03 1.98554e+04 2.42889e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95351e+03 1.16724e+05 5.75013e+05 -4.08818e+06 9.88999e+03 Potential Pressure (bar) -3.35448e+06 -4.96790e+03 Step Time 3110 3110.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02020e+03 6.06279e+03 1.98554e+04 2.42848e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95252e+03 1.16726e+05 5.75020e+05 -4.08820e+06 9.88992e+03 Potential Pressure (bar) -3.35452e+06 -4.96851e+03 Step Time 3111 3111.00000 Step Time 3112 3112.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02207e+03 6.06183e+03 1.98554e+04 2.42859e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95305e+03 1.16725e+05 5.75034e+05 -4.08822e+06 9.88964e+03 Potential Pressure (bar) -3.35453e+06 -4.96776e+03 Step Time 3113 3113.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02379e+03 6.06361e+03 1.98554e+04 2.42836e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95234e+03 1.16726e+05 5.75045e+05 -4.08825e+06 9.88947e+03 Potential Pressure (bar) -3.35454e+06 -4.96824e+03 Step Time 3114 3114.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02750e+03 6.06235e+03 1.98554e+04 2.42856e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95311e+03 1.16725e+05 5.75060e+05 -4.08827e+06 9.88920e+03 Potential Pressure (bar) -3.35455e+06 -4.96728e+03 Step Time 3115 3115.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03122e+03 6.06519e+03 1.98554e+04 2.42822e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95209e+03 1.16726e+05 5.75071e+05 -4.08830e+06 9.88910e+03 Potential Pressure (bar) -3.35456e+06 -4.96804e+03 Step Time 3116 3116.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03870e+03 6.06354e+03 1.98555e+04 2.42855e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95324e+03 1.16724e+05 5.75086e+05 -4.08832e+06 9.88879e+03 Potential Pressure (bar) -3.35456e+06 -4.96678e+03 Step Time 3117 3117.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04647e+03 6.06828e+03 1.98554e+04 2.42807e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95179e+03 1.16727e+05 5.75097e+05 -4.08836e+06 9.88872e+03 Potential Pressure (bar) -3.35457e+06 -4.96795e+03 Step Time 3118 3118.00000 Step Time 3119 3119.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01748e+03 6.06169e+03 1.98555e+04 2.42831e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95260e+03 1.16725e+05 5.75104e+05 -4.08836e+06 9.88854e+03 Potential Pressure (bar) -3.35461e+06 -4.96689e+03 Step Time 3120 3120.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06148e+03 6.07079e+03 1.98555e+04 2.42783e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95142e+03 1.16727e+05 5.75157e+05 -4.08848e+06 9.88769e+03 Potential Pressure (bar) -3.35461e+06 -4.96729e+03 Step Time 3121 3121.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02137e+03 6.06183e+03 1.98556e+04 2.42814e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95260e+03 1.16724e+05 5.75165e+05 -4.08848e+06 9.88756e+03 Potential Pressure (bar) -3.35466e+06 -4.96583e+03 Step Time 3122 3122.00000 Step Time 3123 3123.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02747e+03 6.06438e+03 1.98555e+04 2.42788e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95183e+03 1.16726e+05 5.75178e+05 -4.08852e+06 9.88731e+03 Potential Pressure (bar) -3.35467e+06 -4.96628e+03 Step Time 3124 3124.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02682e+03 6.06231e+03 1.98556e+04 2.42816e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95268e+03 1.16724e+05 5.75191e+05 -4.08853e+06 9.88713e+03 Potential Pressure (bar) -3.35468e+06 -4.96530e+03 Step Time 3125 3125.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03702e+03 6.06635e+03 1.98556e+04 2.42777e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95159e+03 1.16726e+05 5.75203e+05 -4.08857e+06 9.88691e+03 Potential Pressure (bar) -3.35469e+06 -4.96612e+03 Step Time 3126 3126.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03862e+03 6.06353e+03 1.98556e+04 2.42816e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95283e+03 1.16723e+05 5.75216e+05 -4.08858e+06 9.88675e+03 Potential Pressure (bar) -3.35469e+06 -4.96479e+03 Step Time 3127 3127.00000 Step Time 3128 3128.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01807e+03 6.06224e+03 1.98556e+04 2.42785e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95203e+03 1.16725e+05 5.75222e+05 -4.08860e+06 9.88659e+03 Potential Pressure (bar) -3.35473e+06 -4.96527e+03 Step Time 3129 3129.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04980e+03 6.06494e+03 1.98557e+04 2.42797e+02 -1.09001e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95276e+03 1.16723e+05 5.75281e+05 -4.08871e+06 9.88570e+03 Potential Pressure (bar) -3.35474e+06 -4.96373e+03 Step Time 3130 3130.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02219e+03 6.06330e+03 1.98557e+04 2.42758e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95163e+03 1.16725e+05 5.75287e+05 -4.08873e+06 9.88562e+03 Potential Pressure (bar) -3.35479e+06 -4.96446e+03 Step Time 3131 3131.00000 Step Time 3132 3132.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02398e+03 6.06210e+03 1.98557e+04 2.42774e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95225e+03 1.16723e+05 5.75302e+05 -4.08875e+06 9.88530e+03 Potential Pressure (bar) -3.35480e+06 -4.96364e+03 Step Time 3133 3133.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02713e+03 6.06440e+03 1.98557e+04 2.42745e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95142e+03 1.16725e+05 5.75313e+05 -4.08878e+06 9.88517e+03 Potential Pressure (bar) -3.35481e+06 -4.96422e+03 Step Time 3134 3134.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03104e+03 6.06278e+03 1.98558e+04 2.42769e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95234e+03 1.16723e+05 5.75327e+05 -4.08880e+06 9.88493e+03 Potential Pressure (bar) -3.35481e+06 -4.96314e+03 Step Time 3135 3135.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03721e+03 6.06648e+03 1.98557e+04 2.42736e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95117e+03 1.16725e+05 5.75338e+05 -4.08883e+06 9.88484e+03 Potential Pressure (bar) -3.35482e+06 -4.96404e+03 Step Time 3136 3136.00000 Step Time 3137 3137.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01782e+03 6.06183e+03 1.98558e+04 2.42751e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95182e+03 1.16724e+05 5.75344e+05 -4.08884e+06 9.88462e+03 Potential Pressure (bar) -3.35485e+06 -4.96320e+03 Step Time 3138 3138.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04705e+03 6.06825e+03 1.98558e+04 2.42711e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95082e+03 1.16725e+05 5.75400e+05 -4.08896e+06 9.88383e+03 Potential Pressure (bar) -3.35488e+06 -4.96331e+03 Step Time 3139 3139.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02020e+03 6.06185e+03 1.98559e+04 2.42737e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95177e+03 1.16723e+05 5.75408e+05 -4.08897e+06 9.88364e+03 Potential Pressure (bar) -3.35491e+06 -4.96211e+03 Step Time 3140 3140.00000 Step Time 3141 3141.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02477e+03 6.06384e+03 1.98559e+04 2.42712e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95115e+03 1.16724e+05 5.75421e+05 -4.08900e+06 9.88339e+03 Potential Pressure (bar) -3.35493e+06 -4.96245e+03 Step Time 3142 3142.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02360e+03 6.06208e+03 1.98559e+04 2.42730e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95182e+03 1.16723e+05 5.75433e+05 -4.08903e+06 9.88324e+03 Potential Pressure (bar) -3.35494e+06 -4.96162e+03 Step Time 3143 3143.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03109e+03 6.06521e+03 1.98559e+04 2.42700e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95093e+03 1.16724e+05 5.75446e+05 -4.08905e+06 9.88306e+03 Potential Pressure (bar) -3.35494e+06 -4.96223e+03 Step Time 3144 3144.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03103e+03 6.06277e+03 1.98560e+04 2.42727e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95192e+03 1.16722e+05 5.75459e+05 -4.08907e+06 9.88280e+03 Potential Pressure (bar) -3.35495e+06 -4.96113e+03 Step Time 3145 3145.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04365e+03 6.06776e+03 1.98559e+04 2.42685e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95066e+03 1.16724e+05 5.75471e+05 -4.08910e+06 9.88272e+03 Potential Pressure (bar) -3.35495e+06 -4.96211e+03 Step Time 3146 3146.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04700e+03 6.06450e+03 1.98560e+04 2.42729e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95210e+03 1.16721e+05 5.75484e+05 -4.08912e+06 9.88251e+03 Potential Pressure (bar) -3.35496e+06 -4.96061e+03 Step Time 3147 3147.00000 Step Time 3148 3148.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01878e+03 6.06247e+03 1.98560e+04 2.42698e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95118e+03 1.16723e+05 5.75490e+05 -4.08914e+06 9.88230e+03 Potential Pressure (bar) -3.35500e+06 -4.96112e+03 Step Time 3149 3149.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06200e+03 6.06640e+03 1.98561e+04 2.42714e+02 -1.09002e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95207e+03 1.16721e+05 5.75550e+05 -4.08925e+06 9.88143e+03 Potential Pressure (bar) -3.35501e+06 -4.95956e+03 Step Time 3150 3150.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02408e+03 6.06374e+03 1.98560e+04 2.42674e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95075e+03 1.16723e+05 5.75557e+05 -4.08927e+06 9.88126e+03 Potential Pressure (bar) -3.35506e+06 -4.96038e+03 Step Time 3151 3151.00000 Step Time 3152 3152.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02705e+03 6.06246e+03 1.98561e+04 2.42689e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95148e+03 1.16721e+05 5.75570e+05 -4.08929e+06 9.88105e+03 Potential Pressure (bar) -3.35507e+06 -4.95948e+03 Step Time 3153 3153.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03051e+03 6.06514e+03 1.98561e+04 2.42661e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95053e+03 1.16723e+05 5.75581e+05 -4.08932e+06 9.88084e+03 Potential Pressure (bar) -3.35508e+06 -4.96019e+03 Step Time 3154 3154.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03659e+03 6.06345e+03 1.98561e+04 2.42689e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95159e+03 1.16721e+05 5.75595e+05 -4.08934e+06 9.88066e+03 Potential Pressure (bar) -3.35508e+06 -4.95898e+03 Step Time 3155 3155.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04374e+03 6.06784e+03 1.98561e+04 2.42647e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95024e+03 1.16723e+05 5.75606e+05 -4.08937e+06 9.88054e+03 Potential Pressure (bar) -3.35509e+06 -4.96007e+03 Step Time 3156 3156.00000 Step Time 3157 3157.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01852e+03 6.06197e+03 1.98561e+04 2.42668e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95099e+03 1.16722e+05 5.75613e+05 -4.08938e+06 9.88034e+03 Potential Pressure (bar) -3.35512e+06 -4.95907e+03 Step Time 3158 3158.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05670e+03 6.06999e+03 1.98562e+04 2.42623e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94989e+03 1.16723e+05 5.75665e+05 -4.08949e+06 9.87959e+03 Potential Pressure (bar) -3.35514e+06 -4.95937e+03 Step Time 3159 3159.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02178e+03 6.06206e+03 1.98562e+04 2.42655e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95099e+03 1.16721e+05 5.75673e+05 -4.08950e+06 9.87936e+03 Potential Pressure (bar) -3.35518e+06 -4.95800e+03 Step Time 3160 3160.00000 Step Time 3161 3161.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02731e+03 6.06439e+03 1.98562e+04 2.42627e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95027e+03 1.16722e+05 5.75686e+05 -4.08953e+06 9.87919e+03 Potential Pressure (bar) -3.35519e+06 -4.95845e+03 Step Time 3162 3162.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02643e+03 6.06243e+03 1.98563e+04 2.42651e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95105e+03 1.16721e+05 5.75698e+05 -4.08954e+06 9.87901e+03 Potential Pressure (bar) -3.35520e+06 -4.95751e+03 Step Time 3163 3163.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03559e+03 6.06613e+03 1.98562e+04 2.42614e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95003e+03 1.16722e+05 5.75711e+05 -4.08958e+06 9.87884e+03 Potential Pressure (bar) -3.35521e+06 -4.95825e+03 Step Time 3164 3164.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03650e+03 6.06346e+03 1.98563e+04 2.42651e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95118e+03 1.16720e+05 5.75724e+05 -4.08960e+06 9.87862e+03 Potential Pressure (bar) -3.35522e+06 -4.95701e+03 Step Time 3165 3165.00000 Step Time 3166 3166.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01912e+03 6.06250e+03 1.98563e+04 2.42623e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95044e+03 1.16722e+05 5.75729e+05 -4.08962e+06 9.87853e+03 Potential Pressure (bar) -3.35525e+06 -4.95746e+03 Step Time 3167 3167.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04605e+03 6.06463e+03 1.98564e+04 2.42636e+02 -1.09001e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95112e+03 1.16720e+05 5.75785e+05 -4.08972e+06 9.87761e+03 Potential Pressure (bar) -3.35527e+06 -4.95600e+03 Step Time 3168 3168.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02274e+03 6.06343e+03 1.98564e+04 2.42599e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95007e+03 1.16721e+05 5.75792e+05 -4.08974e+06 9.87752e+03 Potential Pressure (bar) -3.35530e+06 -4.95667e+03 Step Time 3169 3169.00000 Step Time 3170 3170.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02404e+03 6.06226e+03 1.98564e+04 2.42616e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95064e+03 1.16720e+05 5.75805e+05 -4.08977e+06 9.87728e+03 Potential Pressure (bar) -3.35532e+06 -4.95594e+03 Step Time 3171 3171.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02705e+03 6.06439e+03 1.98564e+04 2.42587e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94988e+03 1.16722e+05 5.75816e+05 -4.08979e+06 9.87715e+03 Potential Pressure (bar) -3.35533e+06 -4.95645e+03 Step Time 3172 3172.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03004e+03 6.06283e+03 1.98564e+04 2.42610e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95072e+03 1.16720e+05 5.75830e+05 -4.08981e+06 9.87690e+03 Potential Pressure (bar) -3.35533e+06 -4.95546e+03 Step Time 3173 3173.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03580e+03 6.06622e+03 1.98564e+04 2.42576e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94962e+03 1.16722e+05 5.75841e+05 -4.08984e+06 9.87678e+03 Potential Pressure (bar) -3.35534e+06 -4.95628e+03 Step Time 3174 3174.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04262e+03 6.06417e+03 1.98565e+04 2.42612e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95087e+03 1.16719e+05 5.75855e+05 -4.08986e+06 9.87655e+03 Potential Pressure (bar) -3.35535e+06 -4.95494e+03 Step Time 3175 3175.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05363e+03 6.06983e+03 1.98564e+04 2.42559e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94932e+03 1.16722e+05 5.75866e+05 -4.08990e+06 9.87642e+03 Potential Pressure (bar) -3.35535e+06 -4.95623e+03 Step Time 3176 3176.00000 Step Time 3177 3177.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01909e+03 6.06211e+03 1.98565e+04 2.42584e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95019e+03 1.16720e+05 5.75873e+05 -4.08991e+06 9.87622e+03 Potential Pressure (bar) -3.35540e+06 -4.95506e+03 Step Time 3178 3178.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07119e+03 6.07262e+03 1.98565e+04 2.42538e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94892e+03 1.16722e+05 5.75932e+05 -4.09003e+06 9.87543e+03 Potential Pressure (bar) -3.35540e+06 -4.95548e+03 Step Time 3179 3179.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02320e+03 6.06224e+03 1.98566e+04 2.42573e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95019e+03 1.16719e+05 5.75940e+05 -4.09004e+06 9.87519e+03 Potential Pressure (bar) -3.35546e+06 -4.95390e+03 Step Time 3180 3180.00000 Step Time 3181 3181.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03139e+03 6.06523e+03 1.98566e+04 2.42541e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94936e+03 1.16721e+05 5.75953e+05 -4.09007e+06 9.87496e+03 Potential Pressure (bar) -3.35546e+06 -4.95446e+03 Step Time 3182 3182.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02923e+03 6.06278e+03 1.98566e+04 2.42568e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95027e+03 1.16719e+05 5.75965e+05 -4.09008e+06 9.87479e+03 Potential Pressure (bar) -3.35547e+06 -4.95341e+03 Step Time 3183 3183.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04263e+03 6.06751e+03 1.98566e+04 2.42529e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94910e+03 1.16721e+05 5.75978e+05 -4.09012e+06 9.87464e+03 Potential Pressure (bar) -3.35547e+06 -4.95433e+03 Step Time 3184 3184.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04249e+03 6.06415e+03 1.98567e+04 2.42572e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95043e+03 1.16718e+05 5.75990e+05 -4.09013e+06 9.87450e+03 Potential Pressure (bar) -3.35549e+06 -4.95290e+03 Step Time 3185 3185.00000 Step Time 3186 3186.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02003e+03 6.06274e+03 1.98567e+04 2.42541e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94958e+03 1.16720e+05 5.75995e+05 -4.09015e+06 9.87433e+03 Potential Pressure (bar) -3.35552e+06 -4.95340e+03 Step Time 3187 3187.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05514e+03 6.06576e+03 1.98568e+04 2.42564e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.95043e+03 1.16718e+05 5.76044e+05 -4.09024e+06 9.87360e+03 Potential Pressure (bar) -3.35553e+06 -4.95201e+03 Step Time 3188 3188.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02499e+03 6.06392e+03 1.98567e+04 2.42519e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94921e+03 1.16720e+05 5.76050e+05 -4.09026e+06 9.87348e+03 Potential Pressure (bar) -3.35557e+06 -4.95278e+03 Step Time 3189 3189.00000 Step Time 3190 3190.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02605e+03 6.06254e+03 1.98568e+04 2.42541e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94988e+03 1.16719e+05 5.76063e+05 -4.09028e+06 9.87322e+03 Potential Pressure (bar) -3.35558e+06 -4.95195e+03 Step Time 3191 3191.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03087e+03 6.06518e+03 1.98567e+04 2.42507e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94900e+03 1.16720e+05 5.76074e+05 -4.09031e+06 9.87313e+03 Potential Pressure (bar) -3.35559e+06 -4.95257e+03 Step Time 3192 3192.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03391e+03 6.06332e+03 1.98568e+04 2.42536e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94998e+03 1.16718e+05 5.76088e+05 -4.09033e+06 9.87284e+03 Potential Pressure (bar) -3.35559e+06 -4.95147e+03 Step Time 3193 3193.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04272e+03 6.06758e+03 1.98568e+04 2.42496e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94873e+03 1.16720e+05 5.76099e+05 -4.09036e+06 9.87274e+03 Potential Pressure (bar) -3.35560e+06 -4.95244e+03 Step Time 3194 3194.00000 Step Time 3195 3195.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01940e+03 6.06223e+03 1.98568e+04 2.42516e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94943e+03 1.16719e+05 5.76106e+05 -4.09037e+06 9.87260e+03 Potential Pressure (bar) -3.35563e+06 -4.95150e+03 Step Time 3196 3196.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05436e+03 6.06949e+03 1.98569e+04 2.42465e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94835e+03 1.16720e+05 5.76170e+05 -4.09050e+06 9.87165e+03 Potential Pressure (bar) -3.35566e+06 -4.95155e+03 Step Time 3197 3197.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02186e+03 6.06222e+03 1.98569e+04 2.42496e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94936e+03 1.16718e+05 5.76177e+05 -4.09051e+06 9.87148e+03 Potential Pressure (bar) -3.35570e+06 -4.95030e+03 Step Time 3198 3198.00000 Step Time 3199 3199.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02805e+03 6.06452e+03 1.98569e+04 2.42470e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94870e+03 1.16719e+05 5.76191e+05 -4.09055e+06 9.87128e+03 Potential Pressure (bar) -3.35571e+06 -4.95067e+03 Step Time 3200 3200.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02560e+03 6.06249e+03 1.98570e+04 2.42496e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94942e+03 1.16718e+05 5.76202e+05 -4.09056e+06 9.87116e+03 Potential Pressure (bar) -3.35572e+06 -4.94984e+03 Step Time 3201 3201.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03553e+03 6.06608e+03 1.98569e+04 2.42457e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94848e+03 1.16719e+05 5.76216e+05 -4.09059e+06 9.87089e+03 Potential Pressure (bar) -3.35573e+06 -4.95050e+03 Step Time 3202 3202.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03387e+03 6.06330e+03 1.98570e+04 2.42496e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94953e+03 1.16717e+05 5.76228e+05 -4.09061e+06 9.87074e+03 Potential Pressure (bar) -3.35574e+06 -4.94933e+03 Step Time 3203 3203.00000 Step Time 3204 3204.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02035e+03 6.06277e+03 1.98570e+04 2.42469e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94885e+03 1.16719e+05 5.76234e+05 -4.09062e+06 9.87062e+03 Potential Pressure (bar) -3.35576e+06 -4.94970e+03 Step Time 3205 3205.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04186e+03 6.06421e+03 1.98571e+04 2.42482e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94951e+03 1.16717e+05 5.76278e+05 -4.09071e+06 9.86993e+03 Potential Pressure (bar) -3.35578e+06 -4.94851e+03 Step Time 3206 3206.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02379e+03 6.06365e+03 1.98571e+04 2.42447e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94852e+03 1.16719e+05 5.76284e+05 -4.09073e+06 9.86986e+03 Potential Pressure (bar) -3.35581e+06 -4.94914e+03 Step Time 3207 3207.00000 Step Time 3208 3208.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02370e+03 6.06238e+03 1.98571e+04 2.42461e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94906e+03 1.16717e+05 5.76296e+05 -4.09075e+06 9.86960e+03 Potential Pressure (bar) -3.35582e+06 -4.94845e+03 Step Time 3209 3209.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02777e+03 6.06454e+03 1.98571e+04 2.42434e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94834e+03 1.16719e+05 5.76308e+05 -4.09077e+06 9.86948e+03 Potential Pressure (bar) -3.35583e+06 -4.94889e+03 Step Time 3210 3210.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02858e+03 6.06279e+03 1.98572e+04 2.42460e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94913e+03 1.16717e+05 5.76320e+05 -4.09080e+06 9.86923e+03 Potential Pressure (bar) -3.35584e+06 -4.94799e+03 Step Time 3211 3211.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03569e+03 6.06619e+03 1.98571e+04 2.42424e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94811e+03 1.16719e+05 5.76332e+05 -4.09082e+06 9.86912e+03 Potential Pressure (bar) -3.35584e+06 -4.94873e+03 Step Time 3212 3212.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03897e+03 6.06387e+03 1.98572e+04 2.42461e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94925e+03 1.16717e+05 5.76345e+05 -4.09084e+06 9.86892e+03 Potential Pressure (bar) -3.35585e+06 -4.94748e+03 Step Time 3213 3213.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05162e+03 6.06939e+03 1.98571e+04 2.42411e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94781e+03 1.16719e+05 5.76356e+05 -4.09087e+06 9.86881e+03 Potential Pressure (bar) -3.35585e+06 -4.94867e+03 Step Time 3214 3214.00000 Step Time 3215 3215.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.01996e+03 6.06234e+03 1.98572e+04 2.42433e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94862e+03 1.16717e+05 5.76363e+05 -4.09088e+06 9.86862e+03 Potential Pressure (bar) -3.35589e+06 -4.94760e+03 Step Time 3216 3216.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06736e+03 6.07190e+03 1.98572e+04 2.42390e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94739e+03 1.16719e+05 5.76435e+05 -4.09104e+06 9.86760e+03 Potential Pressure (bar) -3.35592e+06 -4.94772e+03 Step Time 3217 3217.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02306e+03 6.06234e+03 1.98573e+04 2.42424e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94856e+03 1.16717e+05 5.76443e+05 -4.09104e+06 9.86742e+03 Potential Pressure (bar) -3.35597e+06 -4.94619e+03 Step Time 3218 3218.00000 Step Time 3219 3219.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03186e+03 6.06532e+03 1.98573e+04 2.42392e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94779e+03 1.16718e+05 5.76457e+05 -4.09108e+06 9.86720e+03 Potential Pressure (bar) -3.35598e+06 -4.94672e+03 Step Time 3220 3220.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02796e+03 6.06274e+03 1.98574e+04 2.42418e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94864e+03 1.16716e+05 5.76468e+05 -4.09109e+06 9.86705e+03 Potential Pressure (bar) -3.35599e+06 -4.94573e+03 Step Time 3221 3221.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04192e+03 6.06741e+03 1.98573e+04 2.42380e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94755e+03 1.16718e+05 5.76481e+05 -4.09112e+06 9.86684e+03 Potential Pressure (bar) -3.35599e+06 -4.94654e+03 Step Time 3222 3222.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03892e+03 6.06384e+03 1.98574e+04 2.42420e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94879e+03 1.16716e+05 5.76492e+05 -4.09114e+06 9.86668e+03 Potential Pressure (bar) -3.35600e+06 -4.94523e+03 Step Time 3223 3223.00000 Step Time 3224 3224.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02126e+03 6.06303e+03 1.98574e+04 2.42390e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94799e+03 1.16717e+05 5.76498e+05 -4.09115e+06 9.86648e+03 Potential Pressure (bar) -3.35603e+06 -4.94571e+03 Step Time 3225 3225.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04958e+03 6.06506e+03 1.98575e+04 2.42411e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94879e+03 1.16715e+05 5.76538e+05 -4.09123e+06 9.86599e+03 Potential Pressure (bar) -3.35603e+06 -4.94447e+03 Step Time 3226 3226.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02593e+03 6.06416e+03 1.98575e+04 2.42373e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94765e+03 1.16717e+05 5.76545e+05 -4.09125e+06 9.86588e+03 Potential Pressure (bar) -3.35607e+06 -4.94522e+03 Step Time 3227 3227.00000 Step Time 3228 3228.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02543e+03 6.06257e+03 1.98575e+04 2.42390e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94828e+03 1.16716e+05 5.76557e+05 -4.09127e+06 9.86567e+03 Potential Pressure (bar) -3.35608e+06 -4.94444e+03 Step Time 3229 3229.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03129e+03 6.06532e+03 1.98575e+04 2.42358e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94746e+03 1.16717e+05 5.76569e+05 -4.09130e+06 9.86554e+03 Potential Pressure (bar) -3.35609e+06 -4.94497e+03 Step Time 3230 3230.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03185e+03 6.06316e+03 1.98575e+04 2.42389e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94837e+03 1.16715e+05 5.76580e+05 -4.09132e+06 9.86534e+03 Potential Pressure (bar) -3.35610e+06 -4.94395e+03 Step Time 3231 3231.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04196e+03 6.06749e+03 1.98575e+04 2.42349e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94720e+03 1.16717e+05 5.76593e+05 -4.09134e+06 9.86526e+03 Potential Pressure (bar) -3.35610e+06 -4.94485e+03 Step Time 3232 3232.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04566e+03 6.06460e+03 1.98576e+04 2.42389e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94853e+03 1.16715e+05 5.76604e+05 -4.09136e+06 9.86496e+03 Potential Pressure (bar) -3.35611e+06 -4.94347e+03 Step Time 3233 3233.00000 Step Time 3234 3234.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02097e+03 6.06289e+03 1.98576e+04 2.42359e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94767e+03 1.16716e+05 5.76610e+05 -4.09138e+06 9.86485e+03 Potential Pressure (bar) -3.35615e+06 -4.94397e+03 Step Time 3235 3235.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05842e+03 6.06626e+03 1.98577e+04 2.42378e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94849e+03 1.16714e+05 5.76672e+05 -4.09150e+06 9.86397e+03 Potential Pressure (bar) -3.35616e+06 -4.94239e+03 Step Time 3236 3236.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02541e+03 6.06398e+03 1.98577e+04 2.42332e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94726e+03 1.16716e+05 5.76678e+05 -4.09152e+06 9.86386e+03 Potential Pressure (bar) -3.35621e+06 -4.94315e+03 Step Time 3237 3237.00000 Step Time 3238 3238.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02834e+03 6.06288e+03 1.98577e+04 2.42354e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94793e+03 1.16715e+05 5.76692e+05 -4.09154e+06 9.86360e+03 Potential Pressure (bar) -3.35622e+06 -4.94228e+03 Step Time 3239 3239.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03087e+03 6.06517e+03 1.98577e+04 2.42320e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94705e+03 1.16716e+05 5.76702e+05 -4.09157e+06 9.86348e+03 Potential Pressure (bar) -3.35623e+06 -4.94292e+03 Step Time 3240 3240.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03659e+03 6.06373e+03 1.98578e+04 2.42351e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94803e+03 1.16714e+05 5.76716e+05 -4.09159e+06 9.86324e+03 Potential Pressure (bar) -3.35624e+06 -4.94185e+03 Step Time 3241 3241.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04207e+03 6.06748e+03 1.98577e+04 2.42309e+02 -1.08988e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94679e+03 1.16717e+05 5.76726e+05 -4.09162e+06 9.86322e+03 Potential Pressure (bar) -3.35625e+06 -4.94280e+03 Step Time 3242 3242.00000 Step Time 3243 3243.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02088e+03 6.06245e+03 1.98578e+04 2.42329e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94748e+03 1.16715e+05 5.76733e+05 -4.09163e+06 9.86299e+03 Potential Pressure (bar) -3.35628e+06 -4.94192e+03 Step Time 3244 3244.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05302e+03 6.06937e+03 1.98578e+04 2.42288e+02 -1.08987e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94649e+03 1.16717e+05 5.76779e+05 -4.09173e+06 9.86236e+03 Potential Pressure (bar) -3.35629e+06 -4.94221e+03 Step Time 3245 3245.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02380e+03 6.06251e+03 1.98579e+04 2.42319e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94749e+03 1.16715e+05 5.76787e+05 -4.09173e+06 9.86219e+03 Potential Pressure (bar) -3.35633e+06 -4.94097e+03 Step Time 3246 3246.00000 Step Time 3247 3247.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02813e+03 6.06454e+03 1.98578e+04 2.42295e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94682e+03 1.16716e+05 5.76798e+05 -4.09176e+06 9.86203e+03 Potential Pressure (bar) -3.35634e+06 -4.94139e+03 Step Time 3248 3248.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02783e+03 6.06283e+03 1.98579e+04 2.42317e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94755e+03 1.16714e+05 5.76810e+05 -4.09178e+06 9.86187e+03 Potential Pressure (bar) -3.35635e+06 -4.94052e+03 Step Time 3249 3249.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03515e+03 6.06601e+03 1.98579e+04 2.42282e+02 -1.08988e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94660e+03 1.16716e+05 5.76821e+05 -4.09181e+06 9.86173e+03 Potential Pressure (bar) -3.35635e+06 -4.94122e+03 Step Time 3250 3250.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03651e+03 6.06370e+03 1.98580e+04 2.42317e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94765e+03 1.16714e+05 5.76833e+05 -4.09183e+06 9.86158e+03 Potential Pressure (bar) -3.35636e+06 -4.94007e+03 Step Time 3251 3251.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04916e+03 6.06882e+03 1.98579e+04 2.42271e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94633e+03 1.16716e+05 5.76845e+05 -4.09186e+06 9.86146e+03 Potential Pressure (bar) -3.35636e+06 -4.94114e+03 Step Time 3252 3252.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05510e+03 6.06574e+03 1.98580e+04 2.42321e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94787e+03 1.16713e+05 5.76858e+05 -4.09188e+06 9.86120e+03 Potential Pressure (bar) -3.35636e+06 -4.93960e+03 Step Time 3253 3253.00000 Step Time 3254 3254.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02160e+03 6.06306e+03 1.98580e+04 2.42283e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94689e+03 1.16715e+05 5.76863e+05 -4.09189e+06 9.86106e+03 Potential Pressure (bar) -3.35641e+06 -4.94014e+03 Step Time 3255 3255.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07251e+03 6.06795e+03 1.98581e+04 2.42319e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94779e+03 1.16712e+05 5.76926e+05 -4.09201e+06 9.86019e+03 Potential Pressure (bar) -3.35642e+06 -4.93848e+03 Step Time 3256 3256.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02739e+03 6.06440e+03 1.98581e+04 2.42264e+02 -1.08988e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94642e+03 1.16715e+05 5.76932e+05 -4.09204e+06 9.86005e+03 Potential Pressure (bar) -3.35648e+06 -4.93934e+03 Step Time 3257 3257.00000 Step Time 3258 3258.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03178e+03 6.06324e+03 1.98582e+04 2.42282e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94721e+03 1.16713e+05 5.76945e+05 -4.09206e+06 9.85981e+03 Potential Pressure (bar) -3.35648e+06 -4.93841e+03 Step Time 3259 3259.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03448e+03 6.06592e+03 1.98581e+04 2.42246e+02 -1.08987e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94620e+03 1.16715e+05 5.76955e+05 -4.09208e+06 9.85969e+03 Potential Pressure (bar) -3.35650e+06 -4.93914e+03 Step Time 3260 3260.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04294e+03 6.06443e+03 1.98582e+04 2.42281e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94734e+03 1.16713e+05 5.76968e+05 -4.09210e+06 9.85950e+03 Potential Pressure (bar) -3.35650e+06 -4.93796e+03 Step Time 3261 3261.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04919e+03 6.06892e+03 1.98582e+04 2.42234e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94592e+03 1.16716e+05 5.76978e+05 -4.09213e+06 9.85945e+03 Potential Pressure (bar) -3.35651e+06 -4.93912e+03 Step Time 3262 3262.00000 Step Time 3263 3263.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02156e+03 6.06253e+03 1.98582e+04 2.42257e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94672e+03 1.16714e+05 5.76985e+05 -4.09214e+06 9.85920e+03 Potential Pressure (bar) -3.35654e+06 -4.93806e+03 Step Time 3264 3264.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06359e+03 6.07138e+03 1.98582e+04 2.42214e+02 -1.08985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94558e+03 1.16716e+05 5.77030e+05 -4.09224e+06 9.85863e+03 Potential Pressure (bar) -3.35654e+06 -4.93860e+03 Step Time 3265 3265.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02555e+03 6.06267e+03 1.98583e+04 2.42245e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94675e+03 1.16713e+05 5.77037e+05 -4.09225e+06 9.85841e+03 Potential Pressure (bar) -3.35659e+06 -4.93714e+03 Step Time 3266 3266.00000 Step Time 3267 3267.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03079e+03 6.06509e+03 1.98583e+04 2.42221e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94600e+03 1.16714e+05 5.77049e+05 -4.09227e+06 9.85825e+03 Potential Pressure (bar) -3.35660e+06 -4.93764e+03 Step Time 3268 3268.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03102e+03 6.06316e+03 1.98583e+04 2.42245e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94682e+03 1.16713e+05 5.77061e+05 -4.09229e+06 9.85809e+03 Potential Pressure (bar) -3.35661e+06 -4.93665e+03 Step Time 3269 3269.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03997e+03 6.06700e+03 1.98583e+04 2.42208e+02 -1.08985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94576e+03 1.16715e+05 5.77072e+05 -4.09232e+06 9.85797e+03 Potential Pressure (bar) -3.35661e+06 -4.93749e+03 Step Time 3270 3270.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04277e+03 6.06438e+03 1.98584e+04 2.42248e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94698e+03 1.16712e+05 5.77085e+05 -4.09234e+06 9.85775e+03 Potential Pressure (bar) -3.35662e+06 -4.93619e+03 Step Time 3271 3271.00000 Step Time 3272 3272.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02189e+03 6.06304e+03 1.98584e+04 2.42220e+02 -1.08988e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94619e+03 1.16714e+05 5.77090e+05 -4.09235e+06 9.85767e+03 Potential Pressure (bar) -3.35665e+06 -4.93666e+03 Step Time 3273 3273.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05380e+03 6.06576e+03 1.98585e+04 2.42235e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94692e+03 1.16712e+05 5.77150e+05 -4.09247e+06 9.85679e+03 Potential Pressure (bar) -3.35667e+06 -4.93513e+03 Step Time 3274 3274.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02580e+03 6.06399e+03 1.98585e+04 2.42196e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94579e+03 1.16714e+05 5.77156e+05 -4.09249e+06 9.85671e+03 Potential Pressure (bar) -3.35672e+06 -4.93588e+03 Step Time 3275 3275.00000 Step Time 3276 3276.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02812e+03 6.06292e+03 1.98585e+04 2.42214e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94641e+03 1.16712e+05 5.77169e+05 -4.09251e+06 9.85650e+03 Potential Pressure (bar) -3.35673e+06 -4.93507e+03 Step Time 3277 3277.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03050e+03 6.06505e+03 1.98585e+04 2.42182e+02 -1.08985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94560e+03 1.16714e+05 5.77179e+05 -4.09254e+06 9.85640e+03 Potential Pressure (bar) -3.35674e+06 -4.93565e+03 Step Time 3278 3278.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03516e+03 6.06362e+03 1.98586e+04 2.42212e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94650e+03 1.16712e+05 5.77193e+05 -4.09256e+06 9.85621e+03 Potential Pressure (bar) -3.35674e+06 -4.93460e+03 Step Time 3279 3279.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04021e+03 6.06706e+03 1.98585e+04 2.42175e+02 -1.08985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94534e+03 1.16714e+05 5.77203e+05 -4.09259e+06 9.85611e+03 Potential Pressure (bar) -3.35675e+06 -4.93552e+03 Step Time 3280 3280.00000 Step Time 3281 3281.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02180e+03 6.06263e+03 1.98586e+04 2.42191e+02 -1.08987e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94599e+03 1.16713e+05 5.77210e+05 -4.09259e+06 9.85584e+03 Potential Pressure (bar) -3.35678e+06 -4.93468e+03 Step Time 3282 3282.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04967e+03 6.06869e+03 1.98586e+04 2.42153e+02 -1.08983e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94504e+03 1.16714e+05 5.77255e+05 -4.09269e+06 9.85533e+03 Potential Pressure (bar) -3.35679e+06 -4.93492e+03 Step Time 3283 3283.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02424e+03 6.06264e+03 1.98587e+04 2.42179e+02 -1.08987e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94598e+03 1.16712e+05 5.77262e+05 -4.09270e+06 9.85518e+03 Potential Pressure (bar) -3.35683e+06 -4.93375e+03 Step Time 3284 3284.00000 Step Time 3285 3285.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02818e+03 6.06450e+03 1.98587e+04 2.42161e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94536e+03 1.16713e+05 5.77274e+05 -4.09273e+06 9.85506e+03 Potential Pressure (bar) -3.35684e+06 -4.93415e+03 Step Time 3286 3286.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02767e+03 6.06290e+03 1.98587e+04 2.42182e+02 -1.08987e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94603e+03 1.16712e+05 5.77285e+05 -4.09275e+06 9.85487e+03 Potential Pressure (bar) -3.35685e+06 -4.93333e+03 Step Time 3287 3287.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03426e+03 6.06578e+03 1.98587e+04 2.42149e+02 -1.08983e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94515e+03 1.16713e+05 5.77297e+05 -4.09278e+06 9.85470e+03 Potential Pressure (bar) -3.35686e+06 -4.93395e+03 Step Time 3288 3288.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03507e+03 6.06360e+03 1.98588e+04 2.42178e+02 -1.08988e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94614e+03 1.16711e+05 5.77308e+05 -4.09280e+06 9.85448e+03 Potential Pressure (bar) -3.35687e+06 -4.93285e+03 Step Time 3289 3289.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04637e+03 6.06824e+03 1.98588e+04 2.42136e+02 -1.08982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94490e+03 1.16713e+05 5.77320e+05 -4.09283e+06 9.85446e+03 Potential Pressure (bar) -3.35687e+06 -4.93385e+03 Step Time 3290 3290.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05095e+03 6.06531e+03 1.98588e+04 2.42182e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94632e+03 1.16711e+05 5.77332e+05 -4.09284e+06 9.85423e+03 Potential Pressure (bar) -3.35687e+06 -4.93241e+03 Step Time 3291 3291.00000 Step Time 3292 3292.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02253e+03 6.06315e+03 1.98588e+04 2.42150e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94540e+03 1.16712e+05 5.77337e+05 -4.09286e+06 9.85405e+03 Potential Pressure (bar) -3.35691e+06 -4.93293e+03 Step Time 3293 3293.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06571e+03 6.06725e+03 1.98590e+04 2.42173e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94631e+03 1.16710e+05 5.77397e+05 -4.09297e+06 9.85327e+03 Potential Pressure (bar) -3.35692e+06 -4.93133e+03 Step Time 3294 3294.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02754e+03 6.06436e+03 1.98589e+04 2.42130e+02 -1.08983e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94498e+03 1.16712e+05 5.77404e+05 -4.09300e+06 9.85311e+03 Potential Pressure (bar) -3.35698e+06 -4.93215e+03 Step Time 3295 3295.00000 Step Time 3296 3296.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03108e+03 6.06325e+03 1.98590e+04 2.42148e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94570e+03 1.16711e+05 5.77417e+05 -4.09302e+06 9.85290e+03 Potential Pressure (bar) -3.35698e+06 -4.93128e+03 Step Time 3297 3297.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03371e+03 6.06571e+03 1.98589e+04 2.42116e+02 -1.08982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94477e+03 1.16713e+05 5.77427e+05 -4.09304e+06 9.85284e+03 Potential Pressure (bar) -3.35699e+06 -4.93197e+03 Step Time 3298 3298.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04061e+03 6.06423e+03 1.98590e+04 2.42146e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94582e+03 1.16710e+05 5.77439e+05 -4.09306e+06 9.85262e+03 Potential Pressure (bar) -3.35700e+06 -4.93082e+03 Step Time 3299 3299.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04645e+03 6.06831e+03 1.98590e+04 2.42105e+02 -1.08981e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94449e+03 1.16713e+05 5.77449e+05 -4.09309e+06 9.85254e+03 Potential Pressure (bar) -3.35701e+06 -4.93190e+03 Step Time 3300 3300.00000 Step Time 3301 3301.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02243e+03 6.06270e+03 1.98590e+04 2.42126e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94524e+03 1.16711e+05 5.77456e+05 -4.09310e+06 9.85237e+03 Potential Pressure (bar) -3.35704e+06 -4.93094e+03 Step Time 3302 3302.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05893e+03 6.07035e+03 1.98591e+04 2.42085e+02 -1.08979e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94419e+03 1.16713e+05 5.77500e+05 -4.09320e+06 9.85184e+03 Potential Pressure (bar) -3.35705e+06 -4.93138e+03 Step Time 3303 3303.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02580e+03 6.06278e+03 1.98591e+04 2.42117e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94526e+03 1.16711e+05 5.77508e+05 -4.09320e+06 9.85162e+03 Potential Pressure (bar) -3.35709e+06 -4.93003e+03 Step Time 3304 3304.00000 Step Time 3305 3305.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03056e+03 6.06496e+03 1.98591e+04 2.42092e+02 -1.08981e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94456e+03 1.16712e+05 5.77519e+05 -4.09323e+06 9.85147e+03 Potential Pressure (bar) -3.35710e+06 -4.93049e+03 Step Time 3306 3306.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03045e+03 6.06318e+03 1.98592e+04 2.42115e+02 -1.08985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94533e+03 1.16710e+05 5.77531e+05 -4.09325e+06 9.85130e+03 Potential Pressure (bar) -3.35710e+06 -4.92959e+03 Step Time 3307 3307.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03854e+03 6.06660e+03 1.98592e+04 2.42079e+02 -1.08980e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94433e+03 1.16712e+05 5.77542e+05 -4.09328e+06 9.85113e+03 Potential Pressure (bar) -3.35711e+06 -4.93034e+03 Step Time 3308 3308.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04047e+03 6.06421e+03 1.98592e+04 2.42114e+02 -1.08985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94547e+03 1.16710e+05 5.77553e+05 -4.09330e+06 9.85098e+03 Potential Pressure (bar) -3.35712e+06 -4.92914e+03 Step Time 3309 3309.00000 Step Time 3310 3310.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02280e+03 6.06316e+03 1.98592e+04 2.42088e+02 -1.08982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94474e+03 1.16711e+05 5.77559e+05 -4.09331e+06 9.85090e+03 Potential Pressure (bar) -3.35715e+06 -4.92956e+03 Step Time 3311 3311.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05001e+03 6.06530e+03 1.98594e+04 2.42107e+02 -1.08985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94539e+03 1.16709e+05 5.77616e+05 -4.09342e+06 9.85006e+03 Potential Pressure (bar) -3.35717e+06 -4.92811e+03 Step Time 3312 3312.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02621e+03 6.06402e+03 1.98593e+04 2.42069e+02 -1.08980e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94435e+03 1.16711e+05 5.77623e+05 -4.09344e+06 9.85002e+03 Potential Pressure (bar) -3.35721e+06 -4.92877e+03 Step Time 3313 3313.00000 Step Time 3314 3314.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02803e+03 6.06296e+03 1.98594e+04 2.42083e+02 -1.08983e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94492e+03 1.16710e+05 5.77635e+05 -4.09346e+06 9.84977e+03 Potential Pressure (bar) -3.35722e+06 -4.92804e+03 Step Time 3315 3315.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03032e+03 6.06495e+03 1.98594e+04 2.42059e+02 -1.08980e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94417e+03 1.16711e+05 5.77646e+05 -4.09348e+06 9.84966e+03 Potential Pressure (bar) -3.35723e+06 -4.92857e+03 Step Time 3316 3316.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03403e+03 6.06353e+03 1.98594e+04 2.42083e+02 -1.08983e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94500e+03 1.16709e+05 5.77658e+05 -4.09350e+06 9.84947e+03 Potential Pressure (bar) -3.35723e+06 -4.92758e+03 Step Time 3317 3317.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03873e+03 6.06672e+03 1.98594e+04 2.42043e+02 -1.08978e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94393e+03 1.16711e+05 5.77668e+05 -4.09353e+06 9.84942e+03 Potential Pressure (bar) -3.35724e+06 -4.92843e+03 Step Time 3318 3318.00000 Step Time 3319 3319.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02270e+03 6.06277e+03 1.98594e+04 2.42061e+02 -1.08981e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94452e+03 1.16710e+05 5.77674e+05 -4.09354e+06 9.84923e+03 Potential Pressure (bar) -3.35727e+06 -4.92767e+03 Step Time 3320 3320.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04694e+03 6.06818e+03 1.98595e+04 2.42030e+02 -1.08978e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94364e+03 1.16711e+05 5.77719e+05 -4.09364e+06 9.84868e+03 Potential Pressure (bar) -3.35729e+06 -4.92784e+03 Step Time 3321 3321.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02478e+03 6.06276e+03 1.98596e+04 2.42049e+02 -1.08981e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94450e+03 1.16710e+05 5.77726e+05 -4.09365e+06 9.84849e+03 Potential Pressure (bar) -3.35732e+06 -4.92676e+03 Step Time 3322 3322.00000 Step Time 3323 3323.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02835e+03 6.06447e+03 1.98596e+04 2.42031e+02 -1.08978e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94392e+03 1.16711e+05 5.77738e+05 -4.09367e+06 9.84833e+03 Potential Pressure (bar) -3.35733e+06 -4.92711e+03 Step Time 3324 3324.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02769e+03 6.06295e+03 1.98596e+04 2.42051e+02 -1.08981e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94455e+03 1.16709e+05 5.77749e+05 -4.09369e+06 9.84819e+03 Potential Pressure (bar) -3.35734e+06 -4.92630e+03 Step Time 3325 3325.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03362e+03 6.06562e+03 1.98596e+04 2.42017e+02 -1.08977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94373e+03 1.16711e+05 5.77761e+05 -4.09372e+06 9.84809e+03 Potential Pressure (bar) -3.35735e+06 -4.92689e+03 Step Time 3326 3326.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03398e+03 6.06355e+03 1.98597e+04 2.42048e+02 -1.08981e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94464e+03 1.16709e+05 5.77772e+05 -4.09374e+06 9.84790e+03 Potential Pressure (bar) -3.35736e+06 -4.92588e+03 Step Time 3327 3327.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04412e+03 6.06776e+03 1.98596e+04 2.42010e+02 -1.08976e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94348e+03 1.16711e+05 5.77784e+05 -4.09377e+06 9.84780e+03 Potential Pressure (bar) -3.35736e+06 -4.92678e+03 Step Time 3328 3328.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04753e+03 6.06497e+03 1.98597e+04 2.42054e+02 -1.08982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94481e+03 1.16708e+05 5.77795e+05 -4.09379e+06 9.84764e+03 Potential Pressure (bar) -3.35737e+06 -4.92541e+03 Step Time 3329 3329.00000 Step Time 3330 3330.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02341e+03 6.06328e+03 1.98597e+04 2.42023e+02 -1.08978e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94396e+03 1.16710e+05 5.77800e+05 -4.09380e+06 9.84747e+03 Potential Pressure (bar) -3.35740e+06 -4.92591e+03 Step Time 3331 3331.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06021e+03 6.06665e+03 1.98599e+04 2.42041e+02 -1.08982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94473e+03 1.16708e+05 5.77858e+05 -4.09391e+06 9.84674e+03 Potential Pressure (bar) -3.35742e+06 -4.92443e+03 Step Time 3332 3332.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02783e+03 6.06434e+03 1.98598e+04 2.41996e+02 -1.08977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94354e+03 1.16710e+05 5.77864e+05 -4.09393e+06 9.84663e+03 Potential Pressure (bar) -3.35746e+06 -4.92519e+03 Step Time 3333 3333.00000 Step Time 3334 3334.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03061e+03 6.06326e+03 1.98599e+04 2.42020e+02 -1.08979e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94421e+03 1.16708e+05 5.77877e+05 -4.09395e+06 9.84645e+03 Potential Pressure (bar) -3.35747e+06 -4.92437e+03 Step Time 3335 3335.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03318e+03 6.06551e+03 1.98599e+04 2.41988e+02 -1.08976e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94335e+03 1.16710e+05 5.77886e+05 -4.09398e+06 9.84635e+03 Potential Pressure (bar) -3.35748e+06 -4.92502e+03 Step Time 3336 3336.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03871e+03 6.06410e+03 1.98599e+04 2.42018e+02 -1.08979e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94432e+03 1.16708e+05 5.77899e+05 -4.09400e+06 9.84612e+03 Potential Pressure (bar) -3.35748e+06 -4.92396e+03 Step Time 3337 3337.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04427e+03 6.06776e+03 1.98599e+04 2.41975e+02 -1.08975e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94309e+03 1.16710e+05 5.77908e+05 -4.09403e+06 9.84605e+03 Potential Pressure (bar) -3.35750e+06 -4.92490e+03 Step Time 3338 3338.00000 Step Time 3339 3339.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02329e+03 6.06284e+03 1.98599e+04 2.41996e+02 -1.08977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94378e+03 1.16709e+05 5.77915e+05 -4.09403e+06 9.84589e+03 Potential Pressure (bar) -3.35752e+06 -4.92404e+03 Step Time 3340 3340.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05506e+03 6.06963e+03 1.98600e+04 2.41958e+02 -1.08973e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94277e+03 1.16710e+05 5.77958e+05 -4.09413e+06 9.84537e+03 Potential Pressure (bar) -3.35754e+06 -4.92438e+03 Step Time 3341 3341.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02613e+03 6.06292e+03 1.98601e+04 2.41989e+02 -1.08977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94378e+03 1.16708e+05 5.77966e+05 -4.09414e+06 9.84520e+03 Potential Pressure (bar) -3.35757e+06 -4.92311e+03 Step Time 3342 3342.00000 Step Time 3343 3343.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03049e+03 6.06488e+03 1.98601e+04 2.41964e+02 -1.08974e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94313e+03 1.16709e+05 5.77977e+05 -4.09417e+06 9.84506e+03 Potential Pressure (bar) -3.35758e+06 -4.92353e+03 Step Time 3344 3344.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03009e+03 6.06322e+03 1.98601e+04 2.41986e+02 -1.08977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94384e+03 1.16708e+05 5.77988e+05 -4.09418e+06 9.84490e+03 Potential Pressure (bar) -3.35759e+06 -4.92269e+03 Step Time 3345 3345.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03741e+03 6.06634e+03 1.98601e+04 2.41954e+02 -1.08974e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94292e+03 1.16710e+05 5.77999e+05 -4.09421e+06 9.84475e+03 Potential Pressure (bar) -3.35760e+06 -4.92338e+03 Step Time 3346 3346.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03863e+03 6.06406e+03 1.98602e+04 2.41987e+02 -1.08977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94396e+03 1.16707e+05 5.78010e+05 -4.09423e+06 9.84460e+03 Potential Pressure (bar) -3.35761e+06 -4.92224e+03 Step Time 3347 3347.00000 Step Time 3348 3348.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02373e+03 6.06327e+03 1.98601e+04 2.41961e+02 -1.08975e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94328e+03 1.16709e+05 5.78015e+05 -4.09424e+06 9.84453e+03 Potential Pressure (bar) -3.35763e+06 -4.92264e+03 Step Time 3349 3349.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04667e+03 6.06505e+03 1.98603e+04 2.41979e+02 -1.08978e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94390e+03 1.16707e+05 5.78070e+05 -4.09436e+06 9.84372e+03 Potential Pressure (bar) -3.35767e+06 -4.92130e+03 Step Time 3350 3350.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02673e+03 6.06405e+03 1.98603e+04 2.41942e+02 -1.08973e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94293e+03 1.16709e+05 5.78076e+05 -4.09438e+06 9.84370e+03 Potential Pressure (bar) -3.35770e+06 -4.92192e+03 Step Time 3351 3351.00000 Step Time 3352 3352.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02806e+03 6.06306e+03 1.98603e+04 2.41955e+02 -1.08975e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94345e+03 1.16707e+05 5.78089e+05 -4.09440e+06 9.84345e+03 Potential Pressure (bar) -3.35771e+06 -4.92126e+03 Step Time 3353 3353.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03030e+03 6.06488e+03 1.98603e+04 2.41929e+02 -1.08972e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94275e+03 1.16709e+05 5.78099e+05 -4.09442e+06 9.84338e+03 Potential Pressure (bar) -3.35772e+06 -4.92173e+03 Step Time 3354 3354.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03316e+03 6.06353e+03 1.98604e+04 2.41953e+02 -1.08975e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94352e+03 1.16707e+05 5.78111e+05 -4.09444e+06 9.84317e+03 Potential Pressure (bar) -3.35773e+06 -4.92083e+03 Step Time 3355 3355.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03761e+03 6.06642e+03 1.98603e+04 2.41921e+02 -1.08972e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94253e+03 1.16709e+05 5.78121e+05 -4.09447e+06 9.84314e+03 Potential Pressure (bar) -3.35774e+06 -4.92158e+03 Step Time 3356 3356.00000 Step Time 3357 3357.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02358e+03 6.06294e+03 1.98604e+04 2.41938e+02 -1.08974e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94308e+03 1.16708e+05 5.78127e+05 -4.09448e+06 9.84298e+03 Potential Pressure (bar) -3.35776e+06 -4.92086e+03 Step Time 3358 3358.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04478e+03 6.06769e+03 1.98605e+04 2.41903e+02 -1.08970e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94225e+03 1.16709e+05 5.78173e+05 -4.09458e+06 9.84240e+03 Potential Pressure (bar) -3.35778e+06 -4.92095e+03 Step Time 3359 3359.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02533e+03 6.06292e+03 1.98605e+04 2.41925e+02 -1.08974e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94305e+03 1.16707e+05 5.78180e+05 -4.09458e+06 9.84223e+03 Potential Pressure (bar) -3.35781e+06 -4.91996e+03 Step Time 3360 3360.00000 Step Time 3361 3361.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02861e+03 6.06446e+03 1.98605e+04 2.41906e+02 -1.08971e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94251e+03 1.16708e+05 5.78191e+05 -4.09461e+06 9.84208e+03 Potential Pressure (bar) -3.35782e+06 -4.92024e+03 Step Time 3362 3362.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02781e+03 6.06306e+03 1.98606e+04 2.41926e+02 -1.08973e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94308e+03 1.16707e+05 5.78202e+05 -4.09463e+06 9.84194e+03 Potential Pressure (bar) -3.35783e+06 -4.91953e+03 Step Time 3363 3363.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03320e+03 6.06546e+03 1.98605e+04 2.41896e+02 -1.08970e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94233e+03 1.16708e+05 5.78213e+05 -4.09466e+06 9.84186e+03 Potential Pressure (bar) -3.35784e+06 -4.92005e+03 Step Time 3364 3364.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03316e+03 6.06354e+03 1.98606e+04 2.41924e+02 -1.08973e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94316e+03 1.16707e+05 5.78224e+05 -4.09468e+06 9.84167e+03 Potential Pressure (bar) -3.35785e+06 -4.91912e+03 Step Time 3365 3365.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04233e+03 6.06733e+03 1.98606e+04 2.41885e+02 -1.08969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94210e+03 1.16708e+05 5.78234e+05 -4.09471e+06 9.84153e+03 Potential Pressure (bar) -3.35786e+06 -4.91993e+03 Step Time 3366 3366.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04469e+03 6.06475e+03 1.98607e+04 2.41926e+02 -1.08974e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94331e+03 1.16706e+05 5.78246e+05 -4.09472e+06 9.84137e+03 Potential Pressure (bar) -3.35786e+06 -4.91865e+03 Step Time 3367 3367.00000 Step Time 3368 3368.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02431e+03 6.06340e+03 1.98607e+04 2.41898e+02 -1.08971e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94253e+03 1.16707e+05 5.78251e+05 -4.09474e+06 9.84124e+03 Potential Pressure (bar) -3.35789e+06 -4.91913e+03 Step Time 3369 3369.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05551e+03 6.06615e+03 1.98608e+04 2.41916e+02 -1.08973e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94325e+03 1.16705e+05 5.78306e+05 -4.09484e+06 9.84056e+03 Potential Pressure (bar) -3.35791e+06 -4.91771e+03 Step Time 3370 3370.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02818e+03 6.06436e+03 1.98608e+04 2.41874e+02 -1.08969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94215e+03 1.16708e+05 5.78311e+05 -4.09486e+06 9.84043e+03 Potential Pressure (bar) -3.35796e+06 -4.91843e+03 Step Time 3371 3371.00000 Step Time 3372 3372.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03030e+03 6.06330e+03 1.98608e+04 2.41894e+02 -1.08971e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94277e+03 1.16706e+05 5.78324e+05 -4.09488e+06 9.84027e+03 Potential Pressure (bar) -3.35796e+06 -4.91766e+03 Step Time 3373 3373.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03287e+03 6.06539e+03 1.98608e+04 2.41865e+02 -1.08968e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94196e+03 1.16708e+05 5.78333e+05 -4.09491e+06 9.84024e+03 Potential Pressure (bar) -3.35798e+06 -4.91825e+03 Step Time 3374 3374.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03721e+03 6.06398e+03 1.98609e+04 2.41894e+02 -1.08971e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94285e+03 1.16706e+05 5.78345e+05 -4.09493e+06 9.83997e+03 Potential Pressure (bar) -3.35798e+06 -4.91722e+03 Step Time 3375 3375.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04246e+03 6.06738e+03 1.98609e+04 2.41852e+02 -1.08967e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94171e+03 1.16708e+05 5.78355e+05 -4.09496e+06 9.83995e+03 Potential Pressure (bar) -3.35799e+06 -4.91814e+03 Step Time 3376 3376.00000 Step Time 3377 3377.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02414e+03 6.06300e+03 1.98609e+04 2.41872e+02 -1.08969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94234e+03 1.16707e+05 5.78361e+05 -4.09496e+06 9.83970e+03 Potential Pressure (bar) -3.35801e+06 -4.91733e+03 Step Time 3378 3378.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05189e+03 6.06899e+03 1.98610e+04 2.41833e+02 -1.08966e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94140e+03 1.16708e+05 5.78405e+05 -4.09506e+06 9.83927e+03 Potential Pressure (bar) -3.35803e+06 -4.91756e+03 Step Time 3379 3379.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02653e+03 6.06302e+03 1.98610e+04 2.41865e+02 -1.08969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94234e+03 1.16706e+05 5.78412e+05 -4.09507e+06 9.83910e+03 Potential Pressure (bar) -3.35806e+06 -4.91645e+03 Step Time 3380 3380.00000 Step Time 3381 3381.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03053e+03 6.06484e+03 1.98610e+04 2.41843e+02 -1.08966e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94172e+03 1.16707e+05 5.78423e+05 -4.09509e+06 9.83895e+03 Potential Pressure (bar) -3.35807e+06 -4.91683e+03 Step Time 3382 3382.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02989e+03 6.06327e+03 1.98611e+04 2.41862e+02 -1.08969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94239e+03 1.16706e+05 5.78434e+05 -4.09511e+06 9.83876e+03 Potential Pressure (bar) -3.35808e+06 -4.91603e+03 Step Time 3383 3383.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03657e+03 6.06612e+03 1.98611e+04 2.41830e+02 -1.08965e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94153e+03 1.16707e+05 5.78445e+05 -4.09514e+06 9.83865e+03 Potential Pressure (bar) -3.35809e+06 -4.91666e+03 Step Time 3384 3384.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03716e+03 6.06399e+03 1.98612e+04 2.41866e+02 -1.08969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94249e+03 1.16705e+05 5.78456e+05 -4.09515e+06 9.83852e+03 Potential Pressure (bar) -3.35810e+06 -4.91558e+03 Step Time 3385 3385.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04859e+03 6.06853e+03 1.98611e+04 2.41821e+02 -1.08964e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94126e+03 1.16707e+05 5.78466e+05 -4.09518e+06 9.83845e+03 Potential Pressure (bar) -3.35810e+06 -4.91658e+03 Step Time 3386 3386.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05275e+03 6.06569e+03 1.98612e+04 2.41869e+02 -1.08969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94267e+03 1.16705e+05 5.78478e+05 -4.09519e+06 9.83821e+03 Potential Pressure (bar) -3.35810e+06 -4.91514e+03 Step Time 3387 3387.00000 Step Time 3388 3388.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02489e+03 6.06356e+03 1.98612e+04 2.41833e+02 -1.08965e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94177e+03 1.16706e+05 5.78483e+05 -4.09521e+06 9.83814e+03 Potential Pressure (bar) -3.35814e+06 -4.91563e+03 Step Time 3389 3389.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06741e+03 6.06751e+03 1.98614e+04 2.41859e+02 -1.08971e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94266e+03 1.16704e+05 5.78539e+05 -4.09532e+06 9.83745e+03 Potential Pressure (bar) -3.35815e+06 -4.91417e+03 Step Time 3390 3390.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02990e+03 6.06471e+03 1.98613e+04 2.41811e+02 -1.08964e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94135e+03 1.16706e+05 5.78545e+05 -4.09534e+06 9.83733e+03 Potential Pressure (bar) -3.35820e+06 -4.91496e+03 Step Time 3391 3391.00000 Step Time 3392 3392.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03323e+03 6.06361e+03 1.98614e+04 2.41831e+02 -1.08967e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94207e+03 1.16705e+05 5.78557e+05 -4.09536e+06 9.83716e+03 Potential Pressure (bar) -3.35821e+06 -4.91414e+03 Step Time 3393 3393.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03601e+03 6.06603e+03 1.98614e+04 2.41799e+02 -1.08963e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94114e+03 1.16707e+05 5.78566e+05 -4.09539e+06 9.83707e+03 Potential Pressure (bar) -3.35822e+06 -4.91481e+03 Step Time 3394 3394.00000 Step Time 3395 3395.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02455e+03 6.06308e+03 1.98614e+04 2.41813e+02 -1.08965e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94166e+03 1.16706e+05 5.78572e+05 -4.09540e+06 9.83696e+03 Potential Pressure (bar) -3.35824e+06 -4.91419e+03 Step Time 3396 3396.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04193e+03 6.06713e+03 1.98615e+04 2.41784e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94090e+03 1.16707e+05 5.78610e+05 -4.09548e+06 9.83649e+03 Potential Pressure (bar) -3.35826e+06 -4.91431e+03 Step Time 3397 3397.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02620e+03 6.06306e+03 1.98615e+04 2.41806e+02 -1.08965e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94165e+03 1.16705e+05 5.78617e+05 -4.09549e+06 9.83631e+03 Potential Pressure (bar) -3.35829e+06 -4.91342e+03 Step Time 3398 3398.00000 Step Time 3399 3399.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02845e+03 6.06437e+03 1.98615e+04 2.41787e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94114e+03 1.16706e+05 5.78627e+05 -4.09552e+06 9.83617e+03 Potential Pressure (bar) -3.35830e+06 -4.91369e+03 Step Time 3400 3400.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02844e+03 6.06320e+03 1.98616e+04 2.41801e+02 -1.08964e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94167e+03 1.16705e+05 5.78638e+05 -4.09553e+06 9.83605e+03 Potential Pressure (bar) -3.35831e+06 -4.91302e+03 Step Time 3401 3401.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03227e+03 6.06523e+03 1.98616e+04 2.41778e+02 -1.08961e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94096e+03 1.16706e+05 5.78649e+05 -4.09556e+06 9.83595e+03 Potential Pressure (bar) -3.35832e+06 -4.91349e+03 Step Time 3402 3402.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03321e+03 6.06361e+03 1.98616e+04 2.41803e+02 -1.08965e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94174e+03 1.16704e+05 5.78660e+05 -4.09558e+06 9.83572e+03 Potential Pressure (bar) -3.35832e+06 -4.91262e+03 Step Time 3403 3403.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03992e+03 6.06682e+03 1.98616e+04 2.41764e+02 -1.08960e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94075e+03 1.16706e+05 5.78670e+05 -4.09561e+06 9.83569e+03 Potential Pressure (bar) -3.35833e+06 -4.91337e+03 Step Time 3404 3404.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04333e+03 6.06466e+03 1.98617e+04 2.41804e+02 -1.08965e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94188e+03 1.16704e+05 5.78681e+05 -4.09562e+06 9.83549e+03 Potential Pressure (bar) -3.35834e+06 -4.91216e+03 Step Time 3405 3405.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05535e+03 6.06991e+03 1.98617e+04 2.41752e+02 -1.08958e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94046e+03 1.16706e+05 5.78691e+05 -4.09565e+06 9.83546e+03 Potential Pressure (bar) -3.35834e+06 -4.91335e+03 Step Time 3406 3406.00000 Step Time 3407 3407.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02476e+03 6.06316e+03 1.98617e+04 2.41779e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94126e+03 1.16705e+05 5.78697e+05 -4.09566e+06 9.83531e+03 Potential Pressure (bar) -3.35838e+06 -4.91234e+03 Step Time 3408 3408.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07061e+03 6.07234e+03 1.98618e+04 2.41730e+02 -1.08956e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94007e+03 1.16706e+05 5.78759e+05 -4.09580e+06 9.83460e+03 Potential Pressure (bar) -3.35840e+06 -4.91258e+03 Step Time 3409 3409.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02782e+03 6.06314e+03 1.98619e+04 2.41770e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94123e+03 1.16704e+05 5.78766e+05 -4.09580e+06 9.83440e+03 Potential Pressure (bar) -3.35845e+06 -4.91115e+03 Step Time 3410 3410.00000 Step Time 3411 3411.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03619e+03 6.06597e+03 1.98619e+04 2.41737e+02 -1.08958e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94047e+03 1.16705e+05 5.78778e+05 -4.09583e+06 9.83429e+03 Potential Pressure (bar) -3.35846e+06 -4.91164e+03 Step Time 3412 3412.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03259e+03 6.06355e+03 1.98620e+04 2.41766e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94131e+03 1.16704e+05 5.78789e+05 -4.09585e+06 9.83411e+03 Potential Pressure (bar) -3.35847e+06 -4.91071e+03 Step Time 3413 3413.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04593e+03 6.06798e+03 1.98619e+04 2.41726e+02 -1.08956e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94023e+03 1.16706e+05 5.78800e+05 -4.09588e+06 9.83406e+03 Potential Pressure (bar) -3.35847e+06 -4.91154e+03 Step Time 3414 3414.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04329e+03 6.06463e+03 1.98620e+04 2.41768e+02 -1.08963e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94145e+03 1.16703e+05 5.78810e+05 -4.09590e+06 9.83385e+03 Potential Pressure (bar) -3.35848e+06 -4.91025e+03 Step Time 3415 3415.00000 Step Time 3416 3416.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02598e+03 6.06375e+03 1.98620e+04 2.41737e+02 -1.08959e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94067e+03 1.16705e+05 5.78816e+05 -4.09591e+06 9.83382e+03 Potential Pressure (bar) -3.35851e+06 -4.91073e+03 Step Time 3417 3417.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05364e+03 6.06585e+03 1.98621e+04 2.41763e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94146e+03 1.16703e+05 5.78852e+05 -4.09598e+06 9.83336e+03 Potential Pressure (bar) -3.35852e+06 -4.90958e+03 Step Time 3418 3418.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03044e+03 6.06486e+03 1.98621e+04 2.41717e+02 -1.08957e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94034e+03 1.16705e+05 5.78858e+05 -4.09600e+06 9.83321e+03 Potential Pressure (bar) -3.35856e+06 -4.91032e+03 Step Time 3419 3419.00000 Step Time 3420 3420.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03012e+03 6.06335e+03 1.98621e+04 2.41738e+02 -1.08960e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94097e+03 1.16704e+05 5.78868e+05 -4.09602e+06 9.83308e+03 Potential Pressure (bar) -3.35856e+06 -4.90958e+03 Step Time 3421 3421.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03563e+03 6.06596e+03 1.98621e+04 2.41708e+02 -1.08956e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94016e+03 1.16705e+05 5.78879e+05 -4.09605e+06 9.83298e+03 Potential Pressure (bar) -3.35857e+06 -4.91015e+03 Step Time 3422 3422.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03640e+03 6.06394e+03 1.98622e+04 2.41738e+02 -1.08960e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94106e+03 1.16703e+05 5.78889e+05 -4.09606e+06 9.83274e+03 Potential Pressure (bar) -3.35858e+06 -4.90915e+03 Step Time 3423 3423.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04593e+03 6.06809e+03 1.98622e+04 2.41699e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93991e+03 1.16705e+05 5.78900e+05 -4.09609e+06 9.83274e+03 Potential Pressure (bar) -3.35858e+06 -4.91006e+03 Step Time 3424 3424.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04984e+03 6.06538e+03 1.98623e+04 2.41744e+02 -1.08961e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94123e+03 1.16703e+05 5.78911e+05 -4.09610e+06 9.83254e+03 Potential Pressure (bar) -3.35859e+06 -4.90873e+03 Step Time 3425 3425.00000 Step Time 3426 3426.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02565e+03 6.06365e+03 1.98623e+04 2.41714e+02 -1.08957e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94039e+03 1.16704e+05 5.78915e+05 -4.09612e+06 9.83248e+03 Potential Pressure (bar) -3.35862e+06 -4.90921e+03 Step Time 3427 3427.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06246e+03 6.06687e+03 1.98624e+04 2.41726e+02 -1.08959e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94117e+03 1.16702e+05 5.78972e+05 -4.09623e+06 9.83181e+03 Potential Pressure (bar) -3.35864e+06 -4.90778e+03 Step Time 3428 3428.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02996e+03 6.06469e+03 1.98624e+04 2.41683e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93997e+03 1.16704e+05 5.78978e+05 -4.09625e+06 9.83173e+03 Potential Pressure (bar) -3.35869e+06 -4.90852e+03 Step Time 3429 3429.00000 Step Time 3430 3430.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03295e+03 6.06361e+03 1.98625e+04 2.41705e+02 -1.08957e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94064e+03 1.16703e+05 5.78990e+05 -4.09627e+06 9.83153e+03 Potential Pressure (bar) -3.35869e+06 -4.90771e+03 Step Time 3431 3431.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03518e+03 6.06585e+03 1.98624e+04 2.41677e+02 -1.08954e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93978e+03 1.16704e+05 5.78999e+05 -4.09630e+06 9.83144e+03 Potential Pressure (bar) -3.35870e+06 -4.90839e+03 Step Time 3432 3432.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04104e+03 6.06444e+03 1.98625e+04 2.41707e+02 -1.08957e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94075e+03 1.16702e+05 5.79012e+05 -4.09631e+06 9.83125e+03 Potential Pressure (bar) -3.35871e+06 -4.90731e+03 Step Time 3433 3433.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04604e+03 6.06809e+03 1.98625e+04 2.41664e+02 -1.08953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93953e+03 1.16705e+05 5.79021e+05 -4.09634e+06 9.83119e+03 Potential Pressure (bar) -3.35872e+06 -4.90832e+03 Step Time 3434 3434.00000 Step Time 3435 3435.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02560e+03 6.06322e+03 1.98626e+04 2.41687e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94021e+03 1.16703e+05 5.79027e+05 -4.09635e+06 9.83106e+03 Potential Pressure (bar) -3.35875e+06 -4.90741e+03 Step Time 3436 3436.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05665e+03 6.06990e+03 1.98626e+04 2.41653e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93923e+03 1.16705e+05 5.79067e+05 -4.09644e+06 9.83068e+03 Potential Pressure (bar) -3.35875e+06 -4.90783e+03 Step Time 3437 3437.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02849e+03 6.06325e+03 1.98627e+04 2.41683e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94022e+03 1.16703e+05 5.79073e+05 -4.09645e+06 9.83046e+03 Potential Pressure (bar) -3.35879e+06 -4.90660e+03 Step Time 3438 3438.00000 Step Time 3439 3439.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03253e+03 6.06522e+03 1.98627e+04 2.41657e+02 -1.08952e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93957e+03 1.16704e+05 5.79084e+05 -4.09647e+06 9.83032e+03 Potential Pressure (bar) -3.35880e+06 -4.90701e+03 Step Time 3440 3440.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03242e+03 6.06358e+03 1.98627e+04 2.41681e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94028e+03 1.16703e+05 5.79094e+05 -4.09649e+06 9.83018e+03 Potential Pressure (bar) -3.35881e+06 -4.90620e+03 Step Time 3441 3441.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03931e+03 6.06663e+03 1.98627e+04 2.41642e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93936e+03 1.16704e+05 5.79104e+05 -4.09651e+06 9.83011e+03 Potential Pressure (bar) -3.35882e+06 -4.90691e+03 Step Time 3442 3442.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04092e+03 6.06443e+03 1.98628e+04 2.41679e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.94040e+03 1.16702e+05 5.79115e+05 -4.09653e+06 9.82996e+03 Potential Pressure (bar) -3.35883e+06 -4.90578e+03 Step Time 3443 3443.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05288e+03 6.06937e+03 1.98628e+04 2.41633e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93910e+03 1.16704e+05 5.79125e+05 -4.09656e+06 9.82987e+03 Potential Pressure (bar) -3.35883e+06 -4.90686e+03 Step Time 3444 3444.00000 Step Time 3445 3445.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02559e+03 6.06331e+03 1.98628e+04 2.41658e+02 -1.08953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93982e+03 1.16703e+05 5.79130e+05 -4.09657e+06 9.82974e+03 Potential Pressure (bar) -3.35886e+06 -4.90594e+03 Step Time 3446 3446.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06637e+03 6.07156e+03 1.98629e+04 2.41605e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93869e+03 1.16704e+05 5.79202e+05 -4.09672e+06 9.82894e+03 Potential Pressure (bar) -3.35889e+06 -4.90595e+03 Step Time 3447 3447.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02800e+03 6.06326e+03 1.98630e+04 2.41639e+02 -1.08953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93974e+03 1.16702e+05 5.79208e+05 -4.09673e+06 9.82885e+03 Potential Pressure (bar) -3.35894e+06 -4.90464e+03 Step Time 3448 3448.00000 Step Time 3449 3449.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03611e+03 6.06592e+03 1.98630e+04 2.41614e+02 -1.08949e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93905e+03 1.16703e+05 5.79221e+05 -4.09676e+06 9.82863e+03 Potential Pressure (bar) -3.35895e+06 -4.90510e+03 Step Time 3450 3450.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03196e+03 6.06356e+03 1.98631e+04 2.41641e+02 -1.08953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93981e+03 1.16702e+05 5.79231e+05 -4.09678e+06 9.82857e+03 Potential Pressure (bar) -3.35896e+06 -4.90423e+03 Step Time 3451 3451.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04471e+03 6.06772e+03 1.98631e+04 2.41602e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93882e+03 1.16704e+05 5.79242e+05 -4.09681e+06 9.82842e+03 Potential Pressure (bar) -3.35897e+06 -4.90495e+03 Step Time 3452 3452.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04090e+03 6.06444e+03 1.98632e+04 2.41640e+02 -1.08954e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93994e+03 1.16701e+05 5.79252e+05 -4.09682e+06 9.82833e+03 Potential Pressure (bar) -3.35898e+06 -4.90380e+03 Step Time 3453 3453.00000 Step Time 3454 3454.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02691e+03 6.06394e+03 1.98631e+04 2.41613e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93922e+03 1.16703e+05 5.79257e+05 -4.09684e+06 9.82819e+03 Potential Pressure (bar) -3.35900e+06 -4.90422e+03 Step Time 3455 3455.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04969e+03 6.06538e+03 1.98633e+04 2.41644e+02 -1.08954e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93995e+03 1.16701e+05 5.79290e+05 -4.09690e+06 9.82786e+03 Potential Pressure (bar) -3.35901e+06 -4.90316e+03 Step Time 3456 3456.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03097e+03 6.06494e+03 1.98632e+04 2.41605e+02 -1.08949e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93893e+03 1.16703e+05 5.79295e+05 -4.09692e+06 9.82776e+03 Potential Pressure (bar) -3.35904e+06 -4.90387e+03 Step Time 3457 3457.00000 Step Time 3458 3458.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02995e+03 6.06340e+03 1.98633e+04 2.41620e+02 -1.08952e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93950e+03 1.16702e+05 5.79306e+05 -4.09694e+06 9.82762e+03 Potential Pressure (bar) -3.35905e+06 -4.90317e+03 Step Time 3459 3459.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03559e+03 6.06594e+03 1.98633e+04 2.41590e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93875e+03 1.16703e+05 5.79316e+05 -4.09696e+06 9.82752e+03 Potential Pressure (bar) -3.35906e+06 -4.90370e+03 Step Time 3460 3460.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03517e+03 6.06386e+03 1.98634e+04 2.41615e+02 -1.08952e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93957e+03 1.16701e+05 5.79327e+05 -4.09698e+06 9.82742e+03 Potential Pressure (bar) -3.35907e+06 -4.90279e+03 Step Time 3461 3461.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04472e+03 6.06782e+03 1.98633e+04 2.41578e+02 -1.08947e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93851e+03 1.16703e+05 5.79337e+05 -4.09701e+06 9.82724e+03 Potential Pressure (bar) -3.35907e+06 -4.90359e+03 Step Time 3462 3462.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04650e+03 6.06502e+03 1.98634e+04 2.41616e+02 -1.08952e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93972e+03 1.16701e+05 5.79348e+05 -4.09702e+06 9.82716e+03 Potential Pressure (bar) -3.35908e+06 -4.90232e+03 Step Time 3463 3463.00000 Step Time 3464 3464.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02662e+03 6.06381e+03 1.98634e+04 2.41589e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93894e+03 1.16702e+05 5.79352e+05 -4.09704e+06 9.82701e+03 Potential Pressure (bar) -3.35911e+06 -4.90278e+03 Step Time 3465 3465.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05708e+03 6.06633e+03 1.98636e+04 2.41615e+02 -1.08953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93970e+03 1.16700e+05 5.79402e+05 -4.09713e+06 9.82650e+03 Potential Pressure (bar) -3.35913e+06 -4.90150e+03 Step Time 3466 3466.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03052e+03 6.06480e+03 1.98636e+04 2.41569e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93858e+03 1.16702e+05 5.79407e+05 -4.09715e+06 9.82634e+03 Potential Pressure (bar) -3.35917e+06 -4.90221e+03 Step Time 3467 3467.00000 Step Time 3468 3468.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03232e+03 6.06362e+03 1.98636e+04 2.41586e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93919e+03 1.16701e+05 5.79418e+05 -4.09717e+06 9.82624e+03 Potential Pressure (bar) -3.35918e+06 -4.90143e+03 Step Time 3469 3469.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03521e+03 6.06584e+03 1.98636e+04 2.41558e+02 -1.08946e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93839e+03 1.16702e+05 5.79428e+05 -4.09720e+06 9.82616e+03 Potential Pressure (bar) -3.35919e+06 -4.90202e+03 Step Time 3470 3470.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03910e+03 6.06427e+03 1.98637e+04 2.41587e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93929e+03 1.16701e+05 5.79439e+05 -4.09721e+06 9.82597e+03 Potential Pressure (bar) -3.35919e+06 -4.90106e+03 Step Time 3471 3471.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04483e+03 6.06782e+03 1.98637e+04 2.41550e+02 -1.08945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93814e+03 1.16703e+05 5.79448e+05 -4.09724e+06 9.82593e+03 Potential Pressure (bar) -3.35920e+06 -4.90196e+03 Step Time 3472 3472.00000 Step Time 3473 3473.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02637e+03 6.06338e+03 1.98637e+04 2.41568e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93878e+03 1.16701e+05 5.79454e+05 -4.09725e+06 9.82578e+03 Potential Pressure (bar) -3.35922e+06 -4.90115e+03 Step Time 3474 3474.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05419e+03 6.06951e+03 1.98638e+04 2.41537e+02 -1.08945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93784e+03 1.16703e+05 5.79498e+05 -4.09735e+06 9.82530e+03 Potential Pressure (bar) -3.35924e+06 -4.90142e+03 Step Time 3475 3475.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02864e+03 6.06338e+03 1.98638e+04 2.41560e+02 -1.08949e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93877e+03 1.16701e+05 5.79504e+05 -4.09736e+06 9.82520e+03 Potential Pressure (bar) -3.35928e+06 -4.90029e+03 Step Time 3476 3476.00000 Step Time 3477 3477.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03290e+03 6.06530e+03 1.98639e+04 2.41540e+02 -1.08946e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93817e+03 1.16702e+05 5.79515e+05 -4.09738e+06 9.82511e+03 Potential Pressure (bar) -3.35929e+06 -4.90069e+03 Step Time 3478 3478.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03191e+03 6.06360e+03 1.98639e+04 2.41558e+02 -1.08949e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93882e+03 1.16701e+05 5.79525e+05 -4.09740e+06 9.82493e+03 Potential Pressure (bar) -3.35930e+06 -4.89991e+03 Step Time 3479 3479.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03893e+03 6.06659e+03 1.98639e+04 2.41530e+02 -1.08945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93796e+03 1.16702e+05 5.79535e+05 -4.09743e+06 9.82485e+03 Potential Pressure (bar) -3.35931e+06 -4.90054e+03 Step Time 3480 3480.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03902e+03 6.06427e+03 1.98640e+04 2.41558e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93893e+03 1.16700e+05 5.79546e+05 -4.09744e+06 9.82470e+03 Potential Pressure (bar) -3.35931e+06 -4.89951e+03 Step Time 3481 3481.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05091e+03 6.06901e+03 1.98639e+04 2.41517e+02 -1.08944e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93771e+03 1.16702e+05 5.79555e+05 -4.09747e+06 9.82460e+03 Potential Pressure (bar) -3.35931e+06 -4.90052e+03 Step Time 3482 3482.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05431e+03 6.06592e+03 1.98640e+04 2.41562e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93912e+03 1.16700e+05 5.79566e+05 -4.09748e+06 9.82446e+03 Potential Pressure (bar) -3.35932e+06 -4.89909e+03 Step Time 3483 3483.00000 Step Time 3484 3484.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02719e+03 6.06395e+03 1.98640e+04 2.41532e+02 -1.08946e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93822e+03 1.16701e+05 5.79571e+05 -4.09750e+06 9.82444e+03 Potential Pressure (bar) -3.35936e+06 -4.89960e+03 Step Time 3485 3485.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06868e+03 6.06776e+03 1.98642e+04 2.41554e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93907e+03 1.16699e+05 5.79621e+05 -4.09760e+06 9.82379e+03 Potential Pressure (bar) -3.35936e+06 -4.89822e+03 Step Time 3486 3486.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03220e+03 6.06517e+03 1.98642e+04 2.41507e+02 -1.08945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93781e+03 1.16701e+05 5.79626e+05 -4.09762e+06 9.82379e+03 Potential Pressure (bar) -3.35942e+06 -4.89904e+03 Step Time 3487 3487.00000 Step Time 3488 3488.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03515e+03 6.06394e+03 1.98642e+04 2.41527e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93853e+03 1.16700e+05 5.79638e+05 -4.09764e+06 9.82357e+03 Potential Pressure (bar) -3.35942e+06 -4.89821e+03 Step Time 3489 3489.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03833e+03 6.06650e+03 1.98642e+04 2.41499e+02 -1.08944e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93761e+03 1.16702e+05 5.79647e+05 -4.09766e+06 9.82352e+03 Potential Pressure (bar) -3.35943e+06 -4.89890e+03 Step Time 3490 3490.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04432e+03 6.06488e+03 1.98643e+04 2.41529e+02 -1.08949e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93865e+03 1.16699e+05 5.79658e+05 -4.09768e+06 9.82332e+03 Potential Pressure (bar) -3.35943e+06 -4.89782e+03 Step Time 3491 3491.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05092e+03 6.06909e+03 1.98643e+04 2.41490e+02 -1.08943e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93734e+03 1.16702e+05 5.79667e+05 -4.09770e+06 9.82330e+03 Potential Pressure (bar) -3.35944e+06 -4.89890e+03 Step Time 3492 3492.00000 Step Time 3493 3493.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02693e+03 6.06348e+03 1.98643e+04 2.41509e+02 -1.08946e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93807e+03 1.16700e+05 5.79673e+05 -4.09771e+06 9.82316e+03 Potential Pressure (bar) -3.35947e+06 -4.89794e+03 Step Time 3494 3494.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06322e+03 6.07117e+03 1.98644e+04 2.41478e+02 -1.08944e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93705e+03 1.16702e+05 5.79715e+05 -4.09781e+06 9.82274e+03 Potential Pressure (bar) -3.35948e+06 -4.89842e+03 Step Time 3495 3495.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03009e+03 6.06352e+03 1.98645e+04 2.41504e+02 -1.08947e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93809e+03 1.16700e+05 5.79722e+05 -4.09782e+06 9.82264e+03 Potential Pressure (bar) -3.35953e+06 -4.89711e+03 Step Time 3496 3496.00000 Step Time 3497 3497.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03521e+03 6.06579e+03 1.98645e+04 2.41479e+02 -1.08944e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93740e+03 1.16701e+05 5.79732e+05 -4.09784e+06 9.82248e+03 Potential Pressure (bar) -3.35953e+06 -4.89762e+03 Step Time 3498 3498.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03455e+03 6.06387e+03 1.98645e+04 2.41502e+02 -1.08947e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93817e+03 1.16700e+05 5.79742e+05 -4.09786e+06 9.82239e+03 Potential Pressure (bar) -3.35954e+06 -4.89671e+03 Step Time 3499 3499.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04309e+03 6.06744e+03 1.98645e+04 2.41469e+02 -1.08944e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93719e+03 1.16701e+05 5.79752e+05 -4.09789e+06 9.82228e+03 Potential Pressure (bar) -3.35955e+06 -4.89747e+03 Step Time 3500 3500.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04420e+03 6.06484e+03 1.98646e+04 2.41505e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93829e+03 1.16699e+05 5.79762e+05 -4.09790e+06 9.82214e+03 Potential Pressure (bar) -3.35955e+06 -4.89629e+03 Step Time 3501 3501.00000 Step Time 3502 3502.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02743e+03 6.06396e+03 1.98646e+04 2.41481e+02 -1.08945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93758e+03 1.16700e+05 5.79766e+05 -4.09792e+06 9.82205e+03 Potential Pressure (bar) -3.35958e+06 -4.89677e+03 Step Time 3503 3503.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05335e+03 6.06598e+03 1.98648e+04 2.41500e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93826e+03 1.16699e+05 5.79814e+05 -4.09801e+06 9.82157e+03 Potential Pressure (bar) -3.35960e+06 -4.89550e+03 Step Time 3504 3504.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03084e+03 6.06483e+03 1.98647e+04 2.41461e+02 -1.08945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93724e+03 1.16700e+05 5.79820e+05 -4.09803e+06 9.82150e+03 Potential Pressure (bar) -3.35964e+06 -4.89618e+03 Step Time 3505 3505.00000 Step Time 3506 3506.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03221e+03 6.06372e+03 1.98648e+04 2.41478e+02 -1.08947e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93780e+03 1.16699e+05 5.79831e+05 -4.09805e+06 9.82133e+03 Potential Pressure (bar) -3.35964e+06 -4.89551e+03 Step Time 3507 3507.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03493e+03 6.06575e+03 1.98648e+04 2.41450e+02 -1.08944e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93706e+03 1.16701e+05 5.79839e+05 -4.09807e+06 9.82123e+03 Potential Pressure (bar) -3.35966e+06 -4.89601e+03 Step Time 3508 3508.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03796e+03 6.06427e+03 1.98649e+04 2.41477e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93788e+03 1.16699e+05 5.79850e+05 -4.09809e+06 9.82106e+03 Potential Pressure (bar) -3.35966e+06 -4.89507e+03 Step Time 3509 3509.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04324e+03 6.06750e+03 1.98648e+04 2.41443e+02 -1.08944e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93683e+03 1.16701e+05 5.79860e+05 -4.09812e+06 9.82103e+03 Potential Pressure (bar) -3.35967e+06 -4.89592e+03 Step Time 3510 3510.00000 Step Time 3511 3511.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02719e+03 6.06358e+03 1.98649e+04 2.41461e+02 -1.08946e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93741e+03 1.16700e+05 5.79865e+05 -4.09812e+06 9.82091e+03 Potential Pressure (bar) -3.35969e+06 -4.89518e+03 Step Time 3512 3512.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05138e+03 6.06892e+03 1.98650e+04 2.41422e+02 -1.08943e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93653e+03 1.16701e+05 5.79909e+05 -4.09822e+06 9.82050e+03 Potential Pressure (bar) -3.35972e+06 -4.89539e+03 Step Time 3513 3513.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02912e+03 6.06354e+03 1.98650e+04 2.41446e+02 -1.08947e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93739e+03 1.16699e+05 5.79915e+05 -4.09823e+06 9.82037e+03 Potential Pressure (bar) -3.35975e+06 -4.89437e+03 Step Time 3514 3514.00000 Step Time 3515 3515.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03295e+03 6.06530e+03 1.98650e+04 2.41428e+02 -1.08945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93682e+03 1.16700e+05 5.79926e+05 -4.09825e+06 9.82028e+03 Potential Pressure (bar) -3.35976e+06 -4.89469e+03 Step Time 3516 3516.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03188e+03 6.06372e+03 1.98651e+04 2.41444e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93743e+03 1.16699e+05 5.79936e+05 -4.09827e+06 9.82017e+03 Potential Pressure (bar) -3.35977e+06 -4.89398e+03 Step Time 3517 3517.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03819e+03 6.06643e+03 1.98651e+04 2.41417e+02 -1.08944e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93664e+03 1.16700e+05 5.79946e+05 -4.09830e+06 9.82003e+03 Potential Pressure (bar) -3.35977e+06 -4.89453e+03 Step Time 3518 3518.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03793e+03 6.06427e+03 1.98652e+04 2.41445e+02 -1.08949e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93753e+03 1.16698e+05 5.79956e+05 -4.09831e+06 9.81988e+03 Potential Pressure (bar) -3.35978e+06 -4.89358e+03 Step Time 3519 3519.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04855e+03 6.06856e+03 1.98652e+04 2.41406e+02 -1.08943e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93640e+03 1.16700e+05 5.79965e+05 -4.09834e+06 9.81979e+03 Potential Pressure (bar) -3.35978e+06 -4.89449e+03 Step Time 3520 3520.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05100e+03 6.06564e+03 1.98653e+04 2.41446e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93770e+03 1.16698e+05 5.79976e+05 -4.09835e+06 9.81970e+03 Potential Pressure (bar) -3.35979e+06 -4.89315e+03 Step Time 3521 3521.00000 Step Time 3522 3522.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02800e+03 6.06409e+03 1.98652e+04 2.41419e+02 -1.08946e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93686e+03 1.16699e+05 5.79980e+05 -4.09837e+06 9.81968e+03 Potential Pressure (bar) -3.35982e+06 -4.89365e+03 Step Time 3523 3523.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06326e+03 6.06721e+03 1.98654e+04 2.41447e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93767e+03 1.16697e+05 5.80029e+05 -4.09847e+06 9.81912e+03 Potential Pressure (bar) -3.35984e+06 -4.89232e+03 Step Time 3524 3524.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03237e+03 6.06521e+03 1.98654e+04 2.41402e+02 -1.08946e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93649e+03 1.16700e+05 5.80034e+05 -4.09848e+06 9.81903e+03 Potential Pressure (bar) -3.35988e+06 -4.89313e+03 Step Time 3525 3525.00000 Step Time 3526 3526.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03470e+03 6.06400e+03 1.98655e+04 2.41419e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93714e+03 1.16698e+05 5.80045e+05 -4.09851e+06 9.81891e+03 Potential Pressure (bar) -3.35989e+06 -4.89233e+03 Step Time 3527 3527.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03770e+03 6.06636e+03 1.98654e+04 2.41392e+02 -1.08945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93629e+03 1.16700e+05 5.80054e+05 -4.09853e+06 9.81883e+03 Potential Pressure (bar) -3.35990e+06 -4.89300e+03 Step Time 3528 3528.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04251e+03 6.06480e+03 1.98655e+04 2.41422e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93725e+03 1.16698e+05 5.80064e+05 -4.09854e+06 9.81868e+03 Potential Pressure (bar) -3.35990e+06 -4.89196e+03 Step Time 3529 3529.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04862e+03 6.06861e+03 1.98655e+04 2.41382e+02 -1.08945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93604e+03 1.16700e+05 5.80073e+05 -4.09857e+06 9.81868e+03 Potential Pressure (bar) -3.35991e+06 -4.89292e+03 Step Time 3530 3530.00000 Step Time 3531 3531.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02774e+03 6.06367e+03 1.98655e+04 2.41403e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93672e+03 1.16699e+05 5.80079e+05 -4.09858e+06 9.81850e+03 Potential Pressure (bar) -3.35993e+06 -4.89206e+03 Step Time 3532 3532.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05929e+03 6.07044e+03 1.98656e+04 2.41365e+02 -1.08944e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93577e+03 1.16700e+05 5.80121e+05 -4.09868e+06 9.81812e+03 Potential Pressure (bar) -3.35995e+06 -4.89247e+03 Step Time 3533 3533.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03041e+03 6.06368e+03 1.98657e+04 2.41399e+02 -1.08949e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93673e+03 1.16698e+05 5.80127e+05 -4.09868e+06 9.81800e+03 Potential Pressure (bar) -3.35999e+06 -4.89126e+03 Step Time 3534 3534.00000 Step Time 3535 3535.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03502e+03 6.06575e+03 1.98657e+04 2.41374e+02 -1.08946e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93608e+03 1.16699e+05 5.80137e+05 -4.09871e+06 9.81786e+03 Potential Pressure (bar) -3.36000e+06 -4.89170e+03 Step Time 3536 3536.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03419e+03 6.06398e+03 1.98658e+04 2.41394e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93679e+03 1.16698e+05 5.80147e+05 -4.09872e+06 9.81778e+03 Potential Pressure (bar) -3.36001e+06 -4.89087e+03 Step Time 3537 3537.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04188e+03 6.06720e+03 1.98657e+04 2.41363e+02 -1.08946e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93588e+03 1.16699e+05 5.80156e+05 -4.09875e+06 9.81771e+03 Potential Pressure (bar) -3.36002e+06 -4.89160e+03 Step Time 3538 3538.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04240e+03 6.06479e+03 1.98658e+04 2.41396e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93692e+03 1.16697e+05 5.80167e+05 -4.09877e+06 9.81756e+03 Potential Pressure (bar) -3.36002e+06 -4.89048e+03 Step Time 3539 3539.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05547e+03 6.06996e+03 1.98658e+04 2.41350e+02 -1.08945e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93561e+03 1.16700e+05 5.80176e+05 -4.09880e+06 9.81752e+03 Potential Pressure (bar) -3.36002e+06 -4.89157e+03 Step Time 3540 3540.00000 Step Time 3541 3541.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02777e+03 6.06378e+03 1.98659e+04 2.41372e+02 -1.08949e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93635e+03 1.16698e+05 5.80182e+05 -4.09880e+06 9.81745e+03 Potential Pressure (bar) -3.36006e+06 -4.89064e+03 Step Time 3542 3542.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06911e+03 6.07202e+03 1.98661e+04 2.41331e+02 -1.08946e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93517e+03 1.16700e+05 5.80262e+05 -4.09898e+06 9.81657e+03 Potential Pressure (bar) -3.36011e+06 -4.89059e+03 Step Time 3543 3543.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02997e+03 6.06372e+03 1.98661e+04 2.41362e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93623e+03 1.16698e+05 5.80267e+05 -4.09899e+06 9.81644e+03 Potential Pressure (bar) -3.36016e+06 -4.88929e+03 Step Time 3544 3544.00000 Step Time 3545 3545.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03873e+03 6.06644e+03 1.98662e+04 2.41330e+02 -1.08948e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93554e+03 1.16699e+05 5.80280e+05 -4.09902e+06 9.81630e+03 Potential Pressure (bar) -3.36017e+06 -4.88973e+03 Step Time 3546 3546.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03378e+03 6.06400e+03 1.98662e+04 2.41360e+02 -1.08952e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93630e+03 1.16697e+05 5.80289e+05 -4.09903e+06 9.81626e+03 Potential Pressure (bar) -3.36018e+06 -4.88888e+03 Step Time 3547 3547.00000 Step Time 3548 3548.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02900e+03 6.06431e+03 1.98662e+04 2.41338e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93581e+03 1.16698e+05 5.80294e+05 -4.09905e+06 9.81613e+03 Potential Pressure (bar) -3.36019e+06 -4.88916e+03 Step Time 3549 3549.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03764e+03 6.06438e+03 1.98663e+04 2.41356e+02 -1.08953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93631e+03 1.16697e+05 5.80317e+05 -4.09909e+06 9.81596e+03 Potential Pressure (bar) -3.36021e+06 -4.88843e+03 Step Time 3550 3550.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03135e+03 6.06495e+03 1.98663e+04 2.41325e+02 -1.08949e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93560e+03 1.16698e+05 5.80323e+05 -4.09911e+06 9.81584e+03 Potential Pressure (bar) -3.36022e+06 -4.88888e+03 Step Time 3551 3551.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04486e+03 6.06511e+03 1.98664e+04 2.41355e+02 -1.08954e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93638e+03 1.16697e+05 5.80340e+05 -4.09914e+06 9.81573e+03 Potential Pressure (bar) -3.36023e+06 -4.88801e+03 Step Time 3552 3552.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03705e+03 6.06626e+03 1.98664e+04 2.41315e+02 -1.08949e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93536e+03 1.16698e+05 5.80347e+05 -4.09916e+06 9.81565e+03 Potential Pressure (bar) -3.36024e+06 -4.88872e+03 Step Time 3553 3553.00000 Step Time 3554 3554.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02969e+03 6.06376e+03 1.98664e+04 2.41334e+02 -1.08952e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93592e+03 1.16697e+05 5.80354e+05 -4.09918e+06 9.81545e+03 Potential Pressure (bar) -3.36026e+06 -4.88808e+03 Step Time 3555 3555.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04291e+03 6.06746e+03 1.98665e+04 2.41304e+02 -1.08949e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93517e+03 1.16699e+05 5.80369e+05 -4.09921e+06 9.81541e+03 Potential Pressure (bar) -3.36026e+06 -4.88854e+03 Step Time 3556 3556.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03330e+03 6.06399e+03 1.98665e+04 2.41333e+02 -1.08953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93600e+03 1.16697e+05 5.80377e+05 -4.09922e+06 9.81529e+03 Potential Pressure (bar) -3.36028e+06 -4.88758e+03 Step Time 3557 3557.00000 Step Time 3558 3558.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03015e+03 6.06467e+03 1.98665e+04 2.41312e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93546e+03 1.16698e+05 5.80383e+05 -4.09924e+06 9.81522e+03 Potential Pressure (bar) -3.36029e+06 -4.88796e+03 Step Time 3559 3559.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03720e+03 6.06435e+03 1.98666e+04 2.41329e+02 -1.08954e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93602e+03 1.16697e+05 5.80399e+05 -4.09927e+06 9.81509e+03 Potential Pressure (bar) -3.36030e+06 -4.88723e+03 Step Time 3560 3560.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03346e+03 6.06547e+03 1.98666e+04 2.41302e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93526e+03 1.16698e+05 5.80406e+05 -4.09929e+06 9.81498e+03 Potential Pressure (bar) -3.36032e+06 -4.88774e+03 Step Time 3561 3561.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04476e+03 6.06512e+03 1.98667e+04 2.41330e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93611e+03 1.16696e+05 5.80420e+05 -4.09931e+06 9.81480e+03 Potential Pressure (bar) -3.36032e+06 -4.88686e+03 Step Time 3562 3562.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04086e+03 6.06708e+03 1.98666e+04 2.41289e+02 -1.08950e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93502e+03 1.16698e+05 5.80428e+05 -4.09934e+06 9.81478e+03 Potential Pressure (bar) -3.36033e+06 -4.88769e+03 Step Time 3563 3563.00000 Step Time 3564 3564.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02930e+03 6.06380e+03 1.98667e+04 2.41310e+02 -1.08954e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93563e+03 1.16697e+05 5.80434e+05 -4.09934e+06 9.81465e+03 Potential Pressure (bar) -3.36035e+06 -4.88694e+03 Step Time 3565 3565.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04829e+03 6.06850e+03 1.98667e+04 2.41281e+02 -1.08951e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93481e+03 1.16698e+05 5.80454e+05 -4.09940e+06 9.81447e+03 Potential Pressure (bar) -3.36036e+06 -4.88746e+03 Step Time 3566 3566.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03272e+03 6.06399e+03 1.98668e+04 2.41312e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93570e+03 1.16697e+05 5.80461e+05 -4.09941e+06 9.81436e+03 Potential Pressure (bar) -3.36038e+06 -4.88645e+03 Step Time 3567 3567.00000 Step Time 3568 3568.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03179e+03 6.06508e+03 1.98668e+04 2.41291e+02 -1.08953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93512e+03 1.16698e+05 5.80469e+05 -4.09943e+06 9.81428e+03 Potential Pressure (bar) -3.36039e+06 -4.88680e+03 Step Time 3569 3569.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03669e+03 6.06434e+03 1.98669e+04 2.41310e+02 -1.08957e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93574e+03 1.16696e+05 5.80482e+05 -4.09945e+06 9.81419e+03 Potential Pressure (bar) -3.36040e+06 -4.88607e+03 Step Time 3570 3570.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03623e+03 6.06609e+03 1.98668e+04 2.41279e+02 -1.08953e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93492e+03 1.16698e+05 5.80489e+05 -4.09947e+06 9.81412e+03 Potential Pressure (bar) -3.36041e+06 -4.88665e+03 Step Time 3571 3571.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04463e+03 6.06513e+03 1.98669e+04 2.41311e+02 -1.08957e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93585e+03 1.16696e+05 5.80501e+05 -4.09949e+06 9.81395e+03 Potential Pressure (bar) -3.36041e+06 -4.88570e+03 Step Time 3572 3572.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04565e+03 6.06807e+03 1.98669e+04 2.41269e+02 -1.08952e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93468e+03 1.16698e+05 5.80509e+05 -4.09952e+06 9.81390e+03 Potential Pressure (bar) -3.36043e+06 -4.88661e+03 Step Time 3573 3573.00000 Step Time 3574 3574.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02902e+03 6.06388e+03 1.98669e+04 2.41291e+02 -1.08956e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93534e+03 1.16697e+05 5.80514e+05 -4.09952e+06 9.81373e+03 Potential Pressure (bar) -3.36045e+06 -4.88580e+03 Step Time 3575 3575.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05495e+03 6.06978e+03 1.98670e+04 2.41259e+02 -1.08952e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93443e+03 1.16698e+05 5.80542e+05 -4.09959e+06 9.81358e+03 Potential Pressure (bar) -3.36046e+06 -4.88629e+03 Step Time 3576 3576.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03218e+03 6.06399e+03 1.98671e+04 2.41286e+02 -1.08957e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93538e+03 1.16696e+05 5.80549e+05 -4.09959e+06 9.81342e+03 Potential Pressure (bar) -3.36048e+06 -4.88519e+03 Step Time 3577 3577.00000 Step Time 3578 3578.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03398e+03 6.06559e+03 1.98671e+04 2.41265e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93476e+03 1.16697e+05 5.80558e+05 -4.09962e+06 9.81335e+03 Potential Pressure (bar) -3.36049e+06 -4.88562e+03 Step Time 3579 3579.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03619e+03 6.06431e+03 1.98671e+04 2.41285e+02 -1.08958e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93544e+03 1.16696e+05 5.80568e+05 -4.09964e+06 9.81326e+03 Potential Pressure (bar) -3.36050e+06 -4.88485e+03 Step Time 3580 3580.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03979e+03 6.06686e+03 1.98671e+04 2.41258e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93456e+03 1.16697e+05 5.80577e+05 -4.09966e+06 9.81317e+03 Potential Pressure (bar) -3.36051e+06 -4.88552e+03 Step Time 3581 3581.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04453e+03 6.06513e+03 1.98672e+04 2.41291e+02 -1.08960e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93556e+03 1.16696e+05 5.80588e+05 -4.09968e+06 9.81306e+03 Potential Pressure (bar) -3.36052e+06 -4.88445e+03 Step Time 3582 3582.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05163e+03 6.06929e+03 1.98672e+04 2.41247e+02 -1.08954e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93430e+03 1.16698e+05 5.80597e+05 -4.09971e+06 9.81300e+03 Potential Pressure (bar) -3.36052e+06 -4.88550e+03 Step Time 3583 3583.00000 Step Time 3584 3584.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02888e+03 6.06395e+03 1.98672e+04 2.41269e+02 -1.08958e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93501e+03 1.16696e+05 5.80602e+05 -4.09971e+06 9.81289e+03 Potential Pressure (bar) -3.36055e+06 -4.88461e+03 Step Time 3585 3585.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06320e+03 6.07139e+03 1.98673e+04 2.41228e+02 -1.08955e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93400e+03 1.16698e+05 5.80644e+05 -4.09981e+06 9.81254e+03 Potential Pressure (bar) -3.36057e+06 -4.88501e+03 Step Time 3586 3586.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03167e+03 6.06398e+03 1.98674e+04 2.41259e+02 -1.08960e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93502e+03 1.16696e+05 5.80651e+05 -4.09982e+06 9.81239e+03 Potential Pressure (bar) -3.36061e+06 -4.88377e+03 Step Time 3587 3587.00000 Step Time 3588 3588.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03690e+03 6.06625e+03 1.98674e+04 2.41236e+02 -1.08957e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93435e+03 1.16697e+05 5.80661e+05 -4.09984e+06 9.81233e+03 Potential Pressure (bar) -3.36062e+06 -4.88425e+03 Step Time 3589 3589.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03571e+03 6.06428e+03 1.98675e+04 2.41260e+02 -1.08961e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93509e+03 1.16696e+05 5.80670e+05 -4.09986e+06 9.81220e+03 Potential Pressure (bar) -3.36063e+06 -4.88342e+03 Step Time 3590 3590.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04431e+03 6.06782e+03 1.98675e+04 2.41227e+02 -1.08957e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93414e+03 1.16697e+05 5.80680e+05 -4.09988e+06 9.81214e+03 Potential Pressure (bar) -3.36063e+06 -4.88416e+03 Step Time 3591 3591.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04448e+03 6.06515e+03 1.98675e+04 2.41263e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93522e+03 1.16695e+05 5.80690e+05 -4.09990e+06 9.81205e+03 Potential Pressure (bar) -3.36064e+06 -4.88302e+03 Step Time 3592 3592.00000 Step Time 3593 3593.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02947e+03 6.06448e+03 1.98675e+04 2.41239e+02 -1.08959e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93453e+03 1.16696e+05 5.80695e+05 -4.09991e+06 9.81200e+03 Potential Pressure (bar) -3.36066e+06 -4.88345e+03 Step Time 3594 3594.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05293e+03 6.06610e+03 1.98677e+04 2.41252e+02 -1.08964e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93518e+03 1.16695e+05 5.80736e+05 -4.10000e+06 9.81151e+03 Potential Pressure (bar) -3.36068e+06 -4.88231e+03 Step Time 3595 3595.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03274e+03 6.06536e+03 1.98677e+04 2.41221e+02 -1.08960e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93421e+03 1.16697e+05 5.80741e+05 -4.10002e+06 9.81149e+03 Potential Pressure (bar) -3.36072e+06 -4.88297e+03 Step Time 3596 3596.00000 Step Time 3597 3597.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03362e+03 6.06414e+03 1.98677e+04 2.41236e+02 -1.08963e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93476e+03 1.16695e+05 5.80751e+05 -4.10003e+06 9.81138e+03 Potential Pressure (bar) -3.36072e+06 -4.88230e+03 Step Time 3598 3598.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03660e+03 6.06624e+03 1.98677e+04 2.41212e+02 -1.08960e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93405e+03 1.16697e+05 5.80760e+05 -4.10006e+06 9.81135e+03 Potential Pressure (bar) -3.36073e+06 -4.88279e+03 Step Time 3599 3599.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03884e+03 6.06461e+03 1.98678e+04 2.41233e+02 -1.08964e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93484e+03 1.16695e+05 5.80770e+05 -4.10007e+06 9.81117e+03 Potential Pressure (bar) -3.36074e+06 -4.88190e+03 Step Time 3600 3600.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04441e+03 6.06790e+03 1.98678e+04 2.41201e+02 -1.08959e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93383e+03 1.16697e+05 5.80780e+05 -4.10010e+06 9.81111e+03 Potential Pressure (bar) -3.36075e+06 -4.88275e+03 Step Time 3601 3601.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04983e+03 6.06574e+03 1.98679e+04 2.41236e+02 -1.08965e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93499e+03 1.16695e+05 5.80790e+05 -4.10012e+06 9.81099e+03 Potential Pressure (bar) -3.36075e+06 -4.88153e+03 Step Time 3602 3602.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06029e+03 6.07113e+03 1.98679e+04 2.41193e+02 -1.08959e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93354e+03 1.16697e+05 5.80798e+05 -4.10014e+06 9.81103e+03 Potential Pressure (bar) -3.36075e+06 -4.88275e+03 Step Time 3603 3603.00000 Step Time 3604 3604.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02934e+03 6.06410e+03 1.98679e+04 2.41215e+02 -1.08963e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93436e+03 1.16696e+05 5.80803e+05 -4.10015e+06 9.81080e+03 Potential Pressure (bar) -3.36079e+06 -4.88173e+03 Step Time 3605 3605.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07595e+03 6.07359e+03 1.98680e+04 2.41179e+02 -1.08960e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93320e+03 1.16697e+05 5.80852e+05 -4.10027e+06 9.81052e+03 Potential Pressure (bar) -3.36080e+06 -4.88227e+03 Step Time 3606 3606.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03286e+03 6.06416e+03 1.98681e+04 2.41210e+02 -1.08966e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93438e+03 1.16695e+05 5.80858e+05 -4.10027e+06 9.81033e+03 Potential Pressure (bar) -3.36086e+06 -4.88082e+03 Step Time 3607 3607.00000 Step Time 3608 3608.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04049e+03 6.06698e+03 1.98681e+04 2.41180e+02 -1.08963e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93361e+03 1.16696e+05 5.80868e+05 -4.10030e+06 9.81022e+03 Potential Pressure (bar) -3.36086e+06 -4.88138e+03 Step Time 3609 3609.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03810e+03 6.06462e+03 1.98682e+04 2.41211e+02 -1.08968e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93447e+03 1.16695e+05 5.80877e+05 -4.10031e+06 9.81010e+03 Potential Pressure (bar) -3.36087e+06 -4.88045e+03 Step Time 3610 3610.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05048e+03 6.06905e+03 1.98682e+04 2.41172e+02 -1.08962e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93338e+03 1.16696e+05 5.80887e+05 -4.10034e+06 9.81003e+03 Potential Pressure (bar) -3.36087e+06 -4.88134e+03 Step Time 3611 3611.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04969e+03 6.06580e+03 1.98682e+04 2.41215e+02 -1.08969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93463e+03 1.16694e+05 5.80896e+05 -4.10035e+06 9.81002e+03 Potential Pressure (bar) -3.36088e+06 -4.88006e+03 Step Time 3612 3612.00000 Step Time 3613 3613.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03026e+03 6.06472e+03 1.98682e+04 2.41185e+02 -1.08965e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93384e+03 1.16696e+05 5.80901e+05 -4.10036e+06 9.80988e+03 Potential Pressure (bar) -3.36091e+06 -4.88053e+03 Step Time 3614 3614.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06076e+03 6.06715e+03 1.98684e+04 2.41210e+02 -1.08971e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93465e+03 1.16694e+05 5.80938e+05 -4.10044e+06 9.80958e+03 Potential Pressure (bar) -3.36091e+06 -4.87941e+03 Step Time 3615 3615.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03470e+03 6.06582e+03 1.98684e+04 2.41172e+02 -1.08966e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93351e+03 1.16696e+05 5.80943e+05 -4.10046e+06 9.80951e+03 Potential Pressure (bar) -3.36096e+06 -4.88017e+03 Step Time 3616 3616.00000 Step Time 3617 3617.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03534e+03 6.06445e+03 1.98684e+04 2.41188e+02 -1.08969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93414e+03 1.16694e+05 5.80953e+05 -4.10048e+06 9.80932e+03 Potential Pressure (bar) -3.36097e+06 -4.87943e+03 Step Time 3618 3618.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03993e+03 6.06696e+03 1.98684e+04 2.41161e+02 -1.08966e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93332e+03 1.16696e+05 5.80961e+05 -4.10050e+06 9.80931e+03 Potential Pressure (bar) -3.36097e+06 -4.88004e+03 Step Time 3619 3619.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04218e+03 6.06510e+03 1.98685e+04 2.41188e+02 -1.08971e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93425e+03 1.16694e+05 5.80971e+05 -4.10051e+06 9.80921e+03 Potential Pressure (bar) -3.36098e+06 -4.87905e+03 Step Time 3620 3620.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05049e+03 6.06913e+03 1.98685e+04 2.41153e+02 -1.08966e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93308e+03 1.16696e+05 5.80980e+05 -4.10054e+06 9.80916e+03 Potential Pressure (bar) -3.36098e+06 -4.88001e+03 Step Time 3621 3621.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05667e+03 6.06666e+03 1.98686e+04 2.41192e+02 -1.08972e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93443e+03 1.16694e+05 5.80990e+05 -4.10056e+06 9.80902e+03 Potential Pressure (bar) -3.36098e+06 -4.87867e+03 Step Time 3622 3622.00000 Step Time 3623 3623.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.02999e+03 6.06464e+03 1.98686e+04 2.41163e+02 -1.08969e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93357e+03 1.16695e+05 5.80994e+05 -4.10057e+06 9.80898e+03 Potential Pressure (bar) -3.36102e+06 -4.87919e+03 Step Time 3624 3624.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06998e+03 6.06833e+03 1.98688e+04 2.41183e+02 -1.08975e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93436e+03 1.16693e+05 5.81057e+05 -4.10070e+06 9.80837e+03 Potential Pressure (bar) -3.36105e+06 -4.87770e+03 Step Time 3625 3625.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03425e+03 6.06569e+03 1.98688e+04 2.41142e+02 -1.08971e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93315e+03 1.16695e+05 5.81061e+05 -4.10072e+06 9.80831e+03 Potential Pressure (bar) -3.36110e+06 -4.87847e+03 Step Time 3626 3626.00000 Step Time 3627 3627.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03838e+03 6.06477e+03 1.98688e+04 2.41160e+02 -1.08974e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93384e+03 1.16694e+05 5.81073e+05 -4.10074e+06 9.80818e+03 Potential Pressure (bar) -3.36110e+06 -4.87768e+03 Step Time 3628 3628.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03952e+03 6.06688e+03 1.98688e+04 2.41132e+02 -1.08971e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93296e+03 1.16695e+05 5.81081e+05 -4.10076e+06 9.80820e+03 Potential Pressure (bar) -3.36112e+06 -4.87834e+03 Step Time 3629 3629.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04712e+03 6.06570e+03 1.98689e+04 2.41160e+02 -1.08975e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93396e+03 1.16693e+05 5.81092e+05 -4.10078e+06 9.80802e+03 Potential Pressure (bar) -3.36112e+06 -4.87732e+03 Step Time 3630 3630.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05058e+03 6.06919e+03 1.98689e+04 2.41122e+02 -1.08971e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93271e+03 1.16696e+05 5.81099e+05 -4.10080e+06 9.80804e+03 Potential Pressure (bar) -3.36113e+06 -4.87835e+03 Step Time 3631 3631.00000 Step Time 3632 3632.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03023e+03 6.06428e+03 1.98689e+04 2.41140e+02 -1.08974e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93341e+03 1.16694e+05 5.81105e+05 -4.10081e+06 9.80792e+03 Potential Pressure (bar) -3.36115e+06 -4.87749e+03 Step Time 3633 3633.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06138e+03 6.07107e+03 1.98690e+04 2.41107e+02 -1.08972e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93245e+03 1.16696e+05 5.81136e+05 -4.10088e+06 9.80769e+03 Potential Pressure (bar) -3.36116e+06 -4.87805e+03 Step Time 3634 3634.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03347e+03 6.06442e+03 1.98691e+04 2.41137e+02 -1.08976e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93346e+03 1.16694e+05 5.81142e+05 -4.10089e+06 9.80751e+03 Potential Pressure (bar) -3.36119e+06 -4.87682e+03 Step Time 3635 3635.00000 Step Time 3636 3636.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03676e+03 6.06628e+03 1.98691e+04 2.41113e+02 -1.08974e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93280e+03 1.16695e+05 5.81151e+05 -4.10091e+06 9.80747e+03 Potential Pressure (bar) -3.36120e+06 -4.87729e+03 Step Time 3637 3637.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03782e+03 6.06478e+03 1.98691e+04 2.41139e+02 -1.08978e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93353e+03 1.16693e+05 5.81161e+05 -4.10093e+06 9.80736e+03 Potential Pressure (bar) -3.36121e+06 -4.87647e+03 Step Time 3638 3638.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04363e+03 6.06772e+03 1.98691e+04 2.41107e+02 -1.08974e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93260e+03 1.16695e+05 5.81170e+05 -4.10096e+06 9.80733e+03 Potential Pressure (bar) -3.36122e+06 -4.87720e+03 Step Time 3639 3639.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04702e+03 6.06571e+03 1.98692e+04 2.41140e+02 -1.08979e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93367e+03 1.16693e+05 5.81180e+05 -4.10097e+06 9.80720e+03 Potential Pressure (bar) -3.36122e+06 -4.87608e+03 Step Time 3640 3640.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05750e+03 6.07054e+03 1.98692e+04 2.41093e+02 -1.08973e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93234e+03 1.16695e+05 5.81188e+05 -4.10100e+06 9.80719e+03 Potential Pressure (bar) -3.36123e+06 -4.87724e+03 Step Time 3641 3641.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06648e+03 6.06787e+03 1.98693e+04 2.41144e+02 -1.08981e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93389e+03 1.16692e+05 5.81198e+05 -4.10101e+06 9.80708e+03 Potential Pressure (bar) -3.36123e+06 -4.87568e+03 Step Time 3642 3642.00000 Step Time 3643 3643.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03057e+03 6.06485e+03 1.98693e+04 2.41111e+02 -1.08977e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93290e+03 1.16694e+05 5.81202e+05 -4.10103e+06 9.80693e+03 Potential Pressure (bar) -3.36128e+06 -4.87628e+03 Step Time 3644 3644.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08436e+03 6.07028e+03 1.98695e+04 2.41139e+02 -1.08983e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93384e+03 1.16692e+05 5.81264e+05 -4.10116e+06 9.80646e+03 Potential Pressure (bar) -3.36128e+06 -4.87473e+03 Step Time 3645 3645.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03609e+03 6.06613e+03 1.98695e+04 2.41088e+02 -1.08978e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93244e+03 1.16694e+05 5.81269e+05 -4.10118e+06 9.80645e+03 Potential Pressure (bar) -3.36135e+06 -4.87561e+03 Step Time 3646 3646.00000 Step Time 3647 3647.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04196e+03 6.06528e+03 1.98695e+04 2.41112e+02 -1.08982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93325e+03 1.16693e+05 5.81280e+05 -4.10120e+06 9.80626e+03 Potential Pressure (bar) -3.36136e+06 -4.87473e+03 Step Time 3648 3648.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04299e+03 6.06766e+03 1.98695e+04 2.41080e+02 -1.08978e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93224e+03 1.16695e+05 5.81287e+05 -4.10122e+06 9.80627e+03 Potential Pressure (bar) -3.36137e+06 -4.87553e+03 Step Time 3649 3649.00000 Step Time 3650 3650.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03060e+03 6.06443e+03 1.98696e+04 2.41098e+02 -1.08981e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93281e+03 1.16693e+05 5.81293e+05 -4.10123e+06 9.80620e+03 Potential Pressure (bar) -3.36139e+06 -4.87486e+03 Step Time 3651 3651.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04970e+03 6.06891e+03 1.98696e+04 2.41066e+02 -1.08979e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93203e+03 1.16695e+05 5.81320e+05 -4.10129e+06 9.80596e+03 Potential Pressure (bar) -3.36140e+06 -4.87524e+03 Step Time 3652 3652.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03291e+03 6.06450e+03 1.98697e+04 2.41092e+02 -1.08983e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93285e+03 1.16693e+05 5.81326e+05 -4.10130e+06 9.80585e+03 Potential Pressure (bar) -3.36143e+06 -4.87427e+03 Step Time 3653 3653.00000 Step Time 3654 3654.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03433e+03 6.06579e+03 1.98697e+04 2.41070e+02 -1.08981e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93232e+03 1.16694e+05 5.81334e+05 -4.10132e+06 9.80581e+03 Potential Pressure (bar) -3.36144e+06 -4.87462e+03 Step Time 3655 3655.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03582e+03 6.06471e+03 1.98698e+04 2.41087e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93289e+03 1.16693e+05 5.81344e+05 -4.10134e+06 9.80567e+03 Potential Pressure (bar) -3.36144e+06 -4.87395e+03 Step Time 3656 3656.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03861e+03 6.06674e+03 1.98698e+04 2.41063e+02 -1.08982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93214e+03 1.16694e+05 5.81353e+05 -4.10136e+06 9.80568e+03 Potential Pressure (bar) -3.36145e+06 -4.87452e+03 Step Time 3657 3657.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04191e+03 6.06530e+03 1.98698e+04 2.41089e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93298e+03 1.16692e+05 5.81363e+05 -4.10138e+06 9.80557e+03 Potential Pressure (bar) -3.36146e+06 -4.87359e+03 Step Time 3658 3658.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04737e+03 6.06855e+03 1.98698e+04 2.41055e+02 -1.08982e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93191e+03 1.16694e+05 5.81371e+05 -4.10141e+06 9.80551e+03 Potential Pressure (bar) -3.36147e+06 -4.87448e+03 Step Time 3659 3659.00000 Step Time 3660 3660.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03055e+03 6.06453e+03 1.98699e+04 2.41074e+02 -1.08984e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93252e+03 1.16693e+05 5.81376e+05 -4.10141e+06 9.80544e+03 Potential Pressure (bar) -3.36149e+06 -4.87370e+03 Step Time 3661 3661.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05596e+03 6.07005e+03 1.98700e+04 2.41035e+02 -1.08983e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93162e+03 1.16694e+05 5.81416e+05 -4.10150e+06 9.80505e+03 Potential Pressure (bar) -3.36151e+06 -4.87402e+03 Step Time 3662 3662.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03260e+03 6.06453e+03 1.98700e+04 2.41065e+02 -1.08987e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93252e+03 1.16693e+05 5.81422e+05 -4.10151e+06 9.80498e+03 Potential Pressure (bar) -3.36154e+06 -4.87296e+03 Step Time 3663 3663.00000 Step Time 3664 3664.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03657e+03 6.06629e+03 1.98700e+04 2.41047e+02 -1.08985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93195e+03 1.16693e+05 5.81431e+05 -4.10153e+06 9.80491e+03 Potential Pressure (bar) -3.36155e+06 -4.87335e+03 Step Time 3665 3665.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03552e+03 6.06475e+03 1.98701e+04 2.41066e+02 -1.08988e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93257e+03 1.16692e+05 5.81440e+05 -4.10155e+06 9.80483e+03 Potential Pressure (bar) -3.36156e+06 -4.87262e+03 Step Time 3666 3666.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04206e+03 6.06748e+03 1.98701e+04 2.41039e+02 -1.08985e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93176e+03 1.16694e+05 5.81450e+05 -4.10157e+06 9.80478e+03 Potential Pressure (bar) -3.36156e+06 -4.87324e+03 Step Time 3667 3667.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04192e+03 6.06535e+03 1.98702e+04 2.41068e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93268e+03 1.16692e+05 5.81459e+05 -4.10159e+06 9.80471e+03 Potential Pressure (bar) -3.36157e+06 -4.87225e+03 Step Time 3668 3668.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05292e+03 6.06972e+03 1.98701e+04 2.41030e+02 -1.08986e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93152e+03 1.16694e+05 5.81468e+05 -4.10161e+06 9.80466e+03 Potential Pressure (bar) -3.36157e+06 -4.87321e+03 Step Time 3669 3669.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05571e+03 6.06683e+03 1.98702e+04 2.41071e+02 -1.08991e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93286e+03 1.16691e+05 5.81477e+05 -4.10163e+06 9.80454e+03 Potential Pressure (bar) -3.36158e+06 -4.87185e+03 Step Time 3670 3670.00000 Step Time 3671 3671.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03136e+03 6.06511e+03 1.98702e+04 2.41041e+02 -1.08988e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93201e+03 1.16693e+05 5.81481e+05 -4.10164e+06 9.80443e+03 Potential Pressure (bar) -3.36162e+06 -4.87240e+03 Step Time 3672 3672.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06867e+03 6.06849e+03 1.98704e+04 2.41066e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93285e+03 1.16691e+05 5.81526e+05 -4.10174e+06 9.80411e+03 Potential Pressure (bar) -3.36163e+06 -4.87112e+03 Step Time 3673 3673.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03595e+03 6.06623e+03 1.98704e+04 2.41020e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93165e+03 1.16693e+05 5.81531e+05 -4.10176e+06 9.80402e+03 Potential Pressure (bar) -3.36167e+06 -4.87193e+03 Step Time 3674 3674.00000 Step Time 3675 3675.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03849e+03 6.06508e+03 1.98704e+04 2.41042e+02 -1.08993e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93233e+03 1.16692e+05 5.81541e+05 -4.10177e+06 9.80397e+03 Potential Pressure (bar) -3.36168e+06 -4.87112e+03 Step Time 3676 3676.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04152e+03 6.06744e+03 1.98704e+04 2.41011e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93146e+03 1.16693e+05 5.81550e+05 -4.10180e+06 9.80393e+03 Potential Pressure (bar) -3.36169e+06 -4.87180e+03 Step Time 3677 3677.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04675e+03 6.06594e+03 1.98705e+04 2.41047e+02 -1.08994e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93245e+03 1.16691e+05 5.81560e+05 -4.10181e+06 9.80384e+03 Potential Pressure (bar) -3.36169e+06 -4.87078e+03 Step Time 3678 3678.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05297e+03 6.06978e+03 1.98705e+04 2.41005e+02 -1.08989e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93121e+03 1.16694e+05 5.81568e+05 -4.10184e+06 9.80375e+03 Potential Pressure (bar) -3.36170e+06 -4.87184e+03 Step Time 3679 3679.00000 Step Time 3680 3680.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03112e+03 6.06468e+03 1.98705e+04 2.41029e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93191e+03 1.16692e+05 5.81573e+05 -4.10184e+06 9.80368e+03 Potential Pressure (bar) -3.36173e+06 -4.87097e+03 Step Time 3681 3681.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06412e+03 6.07172e+03 1.98706e+04 2.40981e+02 -1.08990e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93093e+03 1.16694e+05 5.81611e+05 -4.10193e+06 9.80340e+03 Potential Pressure (bar) -3.36174e+06 -4.87144e+03 Step Time 3682 3682.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03394e+03 6.06475e+03 1.98707e+04 2.41017e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93195e+03 1.16692e+05 5.81617e+05 -4.10194e+06 9.80332e+03 Potential Pressure (bar) -3.36178e+06 -4.87022e+03 Step Time 3683 3683.00000 Step Time 3684 3684.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03871e+03 6.06682e+03 1.98707e+04 2.40994e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93128e+03 1.16693e+05 5.81626e+05 -4.10197e+06 9.80324e+03 Potential Pressure (bar) -3.36178e+06 -4.87067e+03 Step Time 3685 3685.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03795e+03 6.06509e+03 1.98708e+04 2.41021e+02 -1.08996e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93202e+03 1.16691e+05 5.81635e+05 -4.10198e+06 9.80314e+03 Potential Pressure (bar) -3.36180e+06 -4.86986e+03 Step Time 3686 3686.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04586e+03 6.06832e+03 1.98708e+04 2.40987e+02 -1.08992e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93108e+03 1.16693e+05 5.81645e+05 -4.10201e+06 9.80308e+03 Potential Pressure (bar) -3.36180e+06 -4.87061e+03 Step Time 3687 3687.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04664e+03 6.06596e+03 1.98708e+04 2.41021e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93216e+03 1.16691e+05 5.81654e+05 -4.10202e+06 9.80299e+03 Potential Pressure (bar) -3.36181e+06 -4.86948e+03 Step Time 3688 3688.00000 Step Time 3689 3689.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03159e+03 6.06518e+03 1.98708e+04 2.40996e+02 -1.08995e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93147e+03 1.16692e+05 5.81658e+05 -4.10203e+06 9.80289e+03 Potential Pressure (bar) -3.36183e+06 -4.86990e+03 Step Time 3690 3690.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05501e+03 6.06696e+03 1.98710e+04 2.41018e+02 -1.09001e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93212e+03 1.16690e+05 5.81701e+05 -4.10212e+06 9.80257e+03 Potential Pressure (bar) -3.36185e+06 -4.86878e+03 Step Time 3691 3691.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03472e+03 6.06601e+03 1.98710e+04 2.40982e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93116e+03 1.16692e+05 5.81706e+05 -4.10214e+06 9.80253e+03 Potential Pressure (bar) -3.36189e+06 -4.86944e+03 Step Time 3692 3692.00000 Step Time 3693 3693.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03588e+03 6.06494e+03 1.98710e+04 2.40995e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93171e+03 1.16691e+05 5.81716e+05 -4.10215e+06 9.80240e+03 Potential Pressure (bar) -3.36189e+06 -4.86879e+03 Step Time 3694 3694.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03841e+03 6.06687e+03 1.98710e+04 2.40973e+02 -1.08997e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93100e+03 1.16692e+05 5.81724e+05 -4.10218e+06 9.80237e+03 Potential Pressure (bar) -3.36190e+06 -4.86930e+03 Step Time 3695 3695.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04108e+03 6.06542e+03 1.98711e+04 2.40998e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93179e+03 1.16691e+05 5.81734e+05 -4.10220e+06 9.80227e+03 Potential Pressure (bar) -3.36191e+06 -4.86843e+03 Step Time 3696 3696.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04599e+03 6.06848e+03 1.98711e+04 2.40966e+02 -1.08998e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93079e+03 1.16692e+05 5.81742e+05 -4.10222e+06 9.80224e+03 Potential Pressure (bar) -3.36192e+06 -4.86923e+03 Step Time 3697 3697.00000 Step Time 3698 3698.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03137e+03 6.06486e+03 1.98711e+04 2.40982e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93135e+03 1.16691e+05 5.81747e+05 -4.10223e+06 9.80220e+03 Potential Pressure (bar) -3.36194e+06 -4.86856e+03 Step Time 3699 3699.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05337e+03 6.06977e+03 1.98712e+04 2.40947e+02 -1.08999e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93052e+03 1.16692e+05 5.81786e+05 -4.10233e+06 9.80189e+03 Potential Pressure (bar) -3.36197e+06 -4.86877e+03 Step Time 3700 3700.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03311e+03 6.06484e+03 1.98713e+04 2.40973e+02 -1.09002e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93135e+03 1.16691e+05 5.81792e+05 -4.10234e+06 9.80181e+03 Potential Pressure (bar) -3.36200e+06 -4.86782e+03 Step Time 3701 3701.00000 Step Time 3702 3702.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03664e+03 6.06645e+03 1.98713e+04 2.40954e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93082e+03 1.16692e+05 5.81802e+05 -4.10236e+06 9.80174e+03 Potential Pressure (bar) -3.36201e+06 -4.86817e+03 Step Time 3703 3703.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03561e+03 6.06499e+03 1.98713e+04 2.40976e+02 -1.09003e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93140e+03 1.16691e+05 5.81810e+05 -4.10237e+06 9.80164e+03 Potential Pressure (bar) -3.36202e+06 -4.86750e+03 Step Time 3704 3704.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04140e+03 6.06750e+03 1.98713e+04 2.40948e+02 -1.09001e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93065e+03 1.16692e+05 5.81820e+05 -4.10240e+06 9.80162e+03 Potential Pressure (bar) -3.36203e+06 -4.86805e+03 Step Time 3705 3705.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04108e+03 6.06548e+03 1.98714e+04 2.40974e+02 -1.09004e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93150e+03 1.16690e+05 5.81829e+05 -4.10242e+06 9.80148e+03 Potential Pressure (bar) -3.36204e+06 -4.86711e+03 Step Time 3706 3706.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05080e+03 6.06944e+03 1.98714e+04 2.40936e+02 -1.09000e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93042e+03 1.16692e+05 5.81838e+05 -4.10244e+06 9.80153e+03 Potential Pressure (bar) -3.36204e+06 -4.86802e+03 Step Time 3707 3707.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05288e+03 6.06672e+03 1.98715e+04 2.40980e+02 -1.09006e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93166e+03 1.16690e+05 5.81847e+05 -4.10245e+06 9.80140e+03 Potential Pressure (bar) -3.36204e+06 -4.86674e+03 Step Time 3708 3708.00000 Step Time 3709 3709.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03213e+03 6.06539e+03 1.98715e+04 2.40952e+02 -1.09003e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93088e+03 1.16691e+05 5.81851e+05 -4.10247e+06 9.80127e+03 Potential Pressure (bar) -3.36207e+06 -4.86723e+03 Step Time 3710 3710.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06405e+03 6.06807e+03 1.98716e+04 2.40973e+02 -1.09009e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93166e+03 1.16689e+05 5.81895e+05 -4.10256e+06 9.80101e+03 Potential Pressure (bar) -3.36209e+06 -4.86606e+03 Step Time 3711 3711.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03613e+03 6.06642e+03 1.98716e+04 2.40932e+02 -1.09005e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93054e+03 1.16691e+05 5.81899e+05 -4.10258e+06 9.80096e+03 Potential Pressure (bar) -3.36213e+06 -4.86679e+03 Step Time 3712 3712.00000 Step Time 3713 3713.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03817e+03 6.06525e+03 1.98717e+04 2.40953e+02 -1.09007e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93117e+03 1.16690e+05 5.81910e+05 -4.10260e+06 9.80085e+03 Potential Pressure (bar) -3.36214e+06 -4.86605e+03 Step Time 3714 3714.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04095e+03 6.06750e+03 1.98717e+04 2.40925e+02 -1.09005e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93036e+03 1.16691e+05 5.81917e+05 -4.10262e+06 9.80081e+03 Potential Pressure (bar) -3.36215e+06 -4.86670e+03 Step Time 3715 3715.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04524e+03 6.06595e+03 1.98717e+04 2.40954e+02 -1.09009e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93128e+03 1.16690e+05 5.81928e+05 -4.10264e+06 9.80073e+03 Potential Pressure (bar) -3.36215e+06 -4.86573e+03 Step Time 3716 3716.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05087e+03 6.06956e+03 1.98717e+04 2.40915e+02 -1.09005e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93012e+03 1.16692e+05 5.81935e+05 -4.10266e+06 9.80072e+03 Potential Pressure (bar) -3.36216e+06 -4.86667e+03 Step Time 3717 3717.00000 Step Time 3718 3718.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03188e+03 6.06501e+03 1.98718e+04 2.40933e+02 -1.09008e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93078e+03 1.16690e+05 5.81941e+05 -4.10267e+06 9.80053e+03 Potential Pressure (bar) -3.36218e+06 -4.86586e+03 Step Time 3719 3719.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06061e+03 6.07118e+03 1.98719e+04 2.40900e+02 -1.09005e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92985e+03 1.16692e+05 5.81978e+05 -4.10276e+06 9.80042e+03 Potential Pressure (bar) -3.36220e+06 -4.86629e+03 Step Time 3720 3720.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03430e+03 6.06503e+03 1.98719e+04 2.40931e+02 -1.09010e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93080e+03 1.16690e+05 5.81984e+05 -4.10276e+06 9.80028e+03 Potential Pressure (bar) -3.36223e+06 -4.86515e+03 Step Time 3721 3721.00000 Step Time 3722 3722.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03854e+03 6.06694e+03 1.98719e+04 2.40907e+02 -1.09008e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93020e+03 1.16691e+05 5.81994e+05 -4.10279e+06 9.80022e+03 Potential Pressure (bar) -3.36224e+06 -4.86555e+03 Step Time 3723 3723.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03771e+03 6.06528e+03 1.98720e+04 2.40933e+02 -1.09012e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93088e+03 1.16690e+05 5.82002e+05 -4.10280e+06 9.80013e+03 Potential Pressure (bar) -3.36225e+06 -4.86480e+03 Step Time 3724 3724.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04477e+03 6.06826e+03 1.98720e+04 2.40902e+02 -1.09009e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93000e+03 1.16691e+05 5.82010e+05 -4.10283e+06 9.80009e+03 Potential Pressure (bar) -3.36226e+06 -4.86547e+03 Step Time 3725 3725.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04515e+03 6.06602e+03 1.98720e+04 2.40935e+02 -1.09013e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93100e+03 1.16689e+05 5.82019e+05 -4.10284e+06 9.80001e+03 Potential Pressure (bar) -3.36227e+06 -4.86444e+03 Step Time 3726 3726.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05712e+03 6.07078e+03 1.98720e+04 2.40892e+02 -1.09009e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92976e+03 1.16691e+05 5.82028e+05 -4.10287e+06 9.80002e+03 Potential Pressure (bar) -3.36227e+06 -4.86548e+03 Step Time 3727 3727.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06115e+03 6.06775e+03 1.98721e+04 2.40942e+02 -1.09015e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93120e+03 1.16689e+05 5.82038e+05 -4.10288e+06 9.79991e+03 Potential Pressure (bar) -3.36227e+06 -4.86407e+03 Step Time 3728 3728.00000 Step Time 3729 3729.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03265e+03 6.06562e+03 1.98721e+04 2.40907e+02 -1.09012e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93029e+03 1.16690e+05 5.82042e+05 -4.10290e+06 9.79987e+03 Potential Pressure (bar) -3.36231e+06 -4.86462e+03 Step Time 3730 3730.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07622e+03 6.06962e+03 1.98723e+04 2.40932e+02 -1.09018e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93123e+03 1.16688e+05 5.82087e+05 -4.10299e+06 9.79956e+03 Potential Pressure (bar) -3.36231e+06 -4.86333e+03 Step Time 3731 3731.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03781e+03 6.06686e+03 1.98722e+04 2.40889e+02 -1.09013e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92992e+03 1.16690e+05 5.82091e+05 -4.10301e+06 9.79947e+03 Potential Pressure (bar) -3.36237e+06 -4.86417e+03 Step Time 3732 3732.00000 Step Time 3733 3733.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04111e+03 6.06569e+03 1.98723e+04 2.40913e+02 -1.09016e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93066e+03 1.16689e+05 5.82102e+05 -4.10303e+06 9.79940e+03 Potential Pressure (bar) -3.36238e+06 -4.86333e+03 Step Time 3734 3734.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04409e+03 6.06823e+03 1.98723e+04 2.40878e+02 -1.09013e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92972e+03 1.16691e+05 5.82109e+05 -4.10305e+06 9.79938e+03 Potential Pressure (bar) -3.36239e+06 -4.86409e+03 Step Time 3735 3735.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05072e+03 6.06668e+03 1.98724e+04 2.40913e+02 -1.09018e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93079e+03 1.16688e+05 5.82120e+05 -4.10307e+06 9.79924e+03 Potential Pressure (bar) -3.36239e+06 -4.86301e+03 Step Time 3736 3736.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05708e+03 6.07091e+03 1.98724e+04 2.40868e+02 -1.09013e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92946e+03 1.16691e+05 5.82127e+05 -4.10309e+06 9.79927e+03 Potential Pressure (bar) -3.36239e+06 -4.86412e+03 Step Time 3737 3737.00000 Step Time 3738 3738.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03245e+03 6.06517e+03 1.98724e+04 2.40891e+02 -1.09016e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93022e+03 1.16689e+05 5.82132e+05 -4.10310e+06 9.79914e+03 Potential Pressure (bar) -3.36242e+06 -4.86319e+03 Step Time 3739 3739.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06979e+03 6.07302e+03 1.98725e+04 2.40855e+02 -1.09014e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92918e+03 1.16691e+05 5.82168e+05 -4.10319e+06 9.79896e+03 Potential Pressure (bar) -3.36243e+06 -4.86378e+03 Step Time 3740 3740.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03579e+03 6.06526e+03 1.98725e+04 2.40890e+02 -1.09019e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93028e+03 1.16689e+05 5.82174e+05 -4.10319e+06 9.79885e+03 Potential Pressure (bar) -3.36248e+06 -4.86248e+03 Step Time 3741 3741.00000 Step Time 3742 3742.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04082e+03 6.06751e+03 1.98725e+04 2.40865e+02 -1.09017e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92959e+03 1.16690e+05 5.82183e+05 -4.10321e+06 9.79880e+03 Potential Pressure (bar) -3.36248e+06 -4.86298e+03 Step Time 3743 3743.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04047e+03 6.06565e+03 1.98726e+04 2.40893e+02 -1.09020e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93038e+03 1.16689e+05 5.82192e+05 -4.10323e+06 9.79871e+03 Potential Pressure (bar) -3.36249e+06 -4.86215e+03 Step Time 3744 3744.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04895e+03 6.06921e+03 1.98726e+04 2.40857e+02 -1.09017e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92938e+03 1.16690e+05 5.82201e+05 -4.10325e+06 9.79864e+03 Potential Pressure (bar) -3.36249e+06 -4.86295e+03 Step Time 3745 3745.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05059e+03 6.06669e+03 1.98727e+04 2.40894e+02 -1.09022e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93052e+03 1.16688e+05 5.82210e+05 -4.10327e+06 9.79862e+03 Potential Pressure (bar) -3.36250e+06 -4.86179e+03 Step Time 3746 3746.00000 Step Time 3747 3747.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03287e+03 6.06566e+03 1.98727e+04 2.40866e+02 -1.09019e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92980e+03 1.16689e+05 5.82214e+05 -4.10328e+06 9.79852e+03 Potential Pressure (bar) -3.36253e+06 -4.86224e+03 Step Time 3748 3748.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06013e+03 6.06794e+03 1.98728e+04 2.40894e+02 -1.09024e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93051e+03 1.16688e+05 5.82258e+05 -4.10337e+06 9.79820e+03 Potential Pressure (bar) -3.36255e+06 -4.86106e+03 Step Time 3749 3749.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03632e+03 6.06659e+03 1.98728e+04 2.40854e+02 -1.09021e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92947e+03 1.16689e+05 5.82262e+05 -4.10339e+06 9.79817e+03 Potential Pressure (bar) -3.36258e+06 -4.86177e+03 Step Time 3750 3750.00000 Step Time 3751 3751.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03801e+03 6.06548e+03 1.98729e+04 2.40871e+02 -1.09023e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93006e+03 1.16688e+05 5.82273e+05 -4.10341e+06 9.79807e+03 Potential Pressure (bar) -3.36259e+06 -4.86109e+03 Step Time 3752 3752.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04050e+03 6.06753e+03 1.98729e+04 2.40843e+02 -1.09021e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92931e+03 1.16690e+05 5.82280e+05 -4.10343e+06 9.79807e+03 Potential Pressure (bar) -3.36260e+06 -4.86165e+03 Step Time 3753 3753.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04405e+03 6.06608e+03 1.98729e+04 2.40871e+02 -1.09024e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93016e+03 1.16688e+05 5.82290e+05 -4.10344e+06 9.79799e+03 Potential Pressure (bar) -3.36260e+06 -4.86073e+03 Step Time 3754 3754.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04906e+03 6.06931e+03 1.98729e+04 2.40833e+02 -1.09021e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92909e+03 1.16690e+05 5.82298e+05 -4.10347e+06 9.79799e+03 Potential Pressure (bar) -3.36262e+06 -4.86158e+03 Step Time 3755 3755.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05668e+03 6.06745e+03 1.98730e+04 2.40875e+02 -1.09025e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.93033e+03 1.16687e+05 5.82308e+05 -4.10349e+06 9.79786e+03 Potential Pressure (bar) -3.36262e+06 -4.86034e+03 Step Time 3756 3756.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06659e+03 6.07287e+03 1.98730e+04 2.40824e+02 -1.09020e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92880e+03 1.16690e+05 5.82315e+05 -4.10351e+06 9.79786e+03 Potential Pressure (bar) -3.36262e+06 -4.86170e+03 Step Time 3757 3757.00000 Step Time 3758 3758.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03289e+03 6.06534e+03 1.98730e+04 2.40851e+02 -1.09024e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92967e+03 1.16688e+05 5.82320e+05 -4.10352e+06 9.79768e+03 Potential Pressure (bar) -3.36266e+06 -4.86057e+03 Step Time 3759 3759.00000 Step Time 3760 3760.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04342e+03 6.06806e+03 1.98731e+04 2.40825e+02 -1.09023e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92906e+03 1.16689e+05 5.82339e+05 -4.10357e+06 9.79761e+03 Potential Pressure (bar) -3.36268e+06 -4.86089e+03 Step Time 3761 3761.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03440e+03 6.06531e+03 1.98731e+04 2.40848e+02 -1.09026e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92969e+03 1.16688e+05 5.82346e+05 -4.10358e+06 9.79756e+03 Potential Pressure (bar) -3.36269e+06 -4.86016e+03 Step Time 3762 3762.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05048e+03 6.06953e+03 1.98731e+04 2.40818e+02 -1.09023e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92888e+03 1.16690e+05 5.82360e+05 -4.10361e+06 9.79746e+03 Potential Pressure (bar) -3.36270e+06 -4.86073e+03 Step Time 3763 3763.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03874e+03 6.06562e+03 1.98732e+04 2.40850e+02 -1.09027e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92980e+03 1.16688e+05 5.82368e+05 -4.10362e+06 9.79734e+03 Potential Pressure (bar) -3.36271e+06 -4.85975e+03 Step Time 3764 3764.00000 Step Time 3765 3765.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03506e+03 6.06631e+03 1.98732e+04 2.40828e+02 -1.09025e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92921e+03 1.16689e+05 5.82374e+05 -4.10364e+06 9.79735e+03 Potential Pressure (bar) -3.36273e+06 -4.86014e+03 Step Time 3766 3766.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04342e+03 6.06608e+03 1.98732e+04 2.40849e+02 -1.09028e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92985e+03 1.16687e+05 5.82388e+05 -4.10367e+06 9.79719e+03 Potential Pressure (bar) -3.36273e+06 -4.85941e+03 Step Time 3767 3767.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03907e+03 6.06725e+03 1.98732e+04 2.40817e+02 -1.09025e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92902e+03 1.16689e+05 5.82393e+05 -4.10369e+06 9.79718e+03 Potential Pressure (bar) -3.36275e+06 -4.86001e+03 Step Time 3768 3768.00000 Step Time 3769 3769.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03360e+03 6.06534e+03 1.98733e+04 2.40833e+02 -1.09028e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92949e+03 1.16688e+05 5.82400e+05 -4.10370e+06 9.79711e+03 Potential Pressure (bar) -3.36276e+06 -4.85948e+03 Step Time 3770 3770.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04312e+03 6.06811e+03 1.98733e+04 2.40811e+02 -1.09026e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92887e+03 1.16689e+05 5.82414e+05 -4.10374e+06 9.79707e+03 Potential Pressure (bar) -3.36277e+06 -4.85984e+03 Step Time 3771 3771.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03592e+03 6.06544e+03 1.98733e+04 2.40835e+02 -1.09029e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92954e+03 1.16688e+05 5.82421e+05 -4.10375e+06 9.79699e+03 Potential Pressure (bar) -3.36279e+06 -4.85906e+03 Step Time 3772 3772.00000 Step Time 3773 3773.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03427e+03 6.06611e+03 1.98734e+04 2.40818e+02 -1.09028e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92911e+03 1.16688e+05 5.82426e+05 -4.10376e+06 9.79695e+03 Potential Pressure (bar) -3.36280e+06 -4.85936e+03 Step Time 3774 3774.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03844e+03 6.06565e+03 1.98734e+04 2.40831e+02 -1.09030e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92957e+03 1.16687e+05 5.82441e+05 -4.10379e+06 9.79679e+03 Potential Pressure (bar) -3.36281e+06 -4.85873e+03 Step Time 3775 3775.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03662e+03 6.06671e+03 1.98734e+04 2.40808e+02 -1.09028e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92894e+03 1.16689e+05 5.82447e+05 -4.10381e+06 9.79681e+03 Potential Pressure (bar) -3.36282e+06 -4.85916e+03 Step Time 3776 3776.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04337e+03 6.06611e+03 1.98735e+04 2.40832e+02 -1.09032e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92964e+03 1.16687e+05 5.82459e+05 -4.10383e+06 9.79674e+03 Potential Pressure (bar) -3.36282e+06 -4.85842e+03 Step Time 3777 3777.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04176e+03 6.06788e+03 1.98735e+04 2.40801e+02 -1.09028e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92875e+03 1.16689e+05 5.82466e+05 -4.10385e+06 9.79668e+03 Potential Pressure (bar) -3.36284e+06 -4.85906e+03 Step Time 3778 3778.00000 Step Time 3779 3779.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03341e+03 6.06541e+03 1.98735e+04 2.40817e+02 -1.09031e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92925e+03 1.16688e+05 5.82471e+05 -4.10386e+06 9.79654e+03 Potential Pressure (bar) -3.36285e+06 -4.85849e+03 Step Time 3780 3780.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04689e+03 6.06890e+03 1.98735e+04 2.40794e+02 -1.09029e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92857e+03 1.16689e+05 5.82490e+05 -4.10391e+06 9.79654e+03 Potential Pressure (bar) -3.36286e+06 -4.85885e+03 Step Time 3781 3781.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03557e+03 6.06548e+03 1.98736e+04 2.40816e+02 -1.09033e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92931e+03 1.16687e+05 5.82497e+05 -4.10392e+06 9.79643e+03 Potential Pressure (bar) -3.36288e+06 -4.85805e+03 Step Time 3782 3782.00000 Step Time 3783 3783.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03546e+03 6.06647e+03 1.98736e+04 2.40799e+02 -1.09031e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92883e+03 1.16688e+05 5.82504e+05 -4.10394e+06 9.79639e+03 Potential Pressure (bar) -3.36289e+06 -4.85835e+03 Step Time 3784 3784.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03814e+03 6.06564e+03 1.98736e+04 2.40814e+02 -1.09034e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92934e+03 1.16687e+05 5.82515e+05 -4.10395e+06 9.79634e+03 Potential Pressure (bar) -3.36290e+06 -4.85771e+03 Step Time 3785 3785.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03857e+03 6.06721e+03 1.98736e+04 2.40789e+02 -1.09031e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92867e+03 1.16688e+05 5.82522e+05 -4.10397e+06 9.79629e+03 Potential Pressure (bar) -3.36291e+06 -4.85821e+03 Step Time 3786 3786.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04334e+03 6.06611e+03 1.98737e+04 2.40817e+02 -1.09035e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92942e+03 1.16687e+05 5.82533e+05 -4.10399e+06 9.79622e+03 Potential Pressure (bar) -3.36291e+06 -4.85739e+03 Step Time 3787 3787.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04513e+03 6.06864e+03 1.98737e+04 2.40784e+02 -1.09031e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92847e+03 1.16688e+05 5.82540e+05 -4.10402e+06 9.79621e+03 Potential Pressure (bar) -3.36292e+06 -4.85813e+03 Step Time 3788 3788.00000 Step Time 3789 3789.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03328e+03 6.06550e+03 1.98737e+04 2.40802e+02 -1.09034e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92901e+03 1.16687e+05 5.82545e+05 -4.10402e+06 9.79608e+03 Potential Pressure (bar) -3.36294e+06 -4.85750e+03 Step Time 3790 3790.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05156e+03 6.06984e+03 1.98738e+04 2.40773e+02 -1.09032e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92827e+03 1.16689e+05 5.82571e+05 -4.10409e+06 9.79602e+03 Potential Pressure (bar) -3.36296e+06 -4.85788e+03 Step Time 3791 3791.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03527e+03 6.06551e+03 1.98738e+04 2.40797e+02 -1.09036e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92905e+03 1.16687e+05 5.82577e+05 -4.10410e+06 9.79589e+03 Potential Pressure (bar) -3.36298e+06 -4.85691e+03 Step Time 3792 3792.00000 Step Time 3793 3793.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03706e+03 6.06688e+03 1.98738e+04 2.40780e+02 -1.09034e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92853e+03 1.16688e+05 5.82585e+05 -4.10412e+06 9.79583e+03 Potential Pressure (bar) -3.36299e+06 -4.85729e+03 Step Time 3794 3794.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03785e+03 6.06568e+03 1.98739e+04 2.40798e+02 -1.09037e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92909e+03 1.16687e+05 5.82594e+05 -4.10413e+06 9.79578e+03 Potential Pressure (bar) -3.36300e+06 -4.85664e+03 Step Time 3795 3795.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04110e+03 6.06779e+03 1.98739e+04 2.40775e+02 -1.09034e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92837e+03 1.16688e+05 5.82602e+05 -4.10416e+06 9.79572e+03 Potential Pressure (bar) -3.36301e+06 -4.85717e+03 Step Time 3796 3796.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04330e+03 6.06618e+03 1.98740e+04 2.40800e+02 -1.09038e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92919e+03 1.16686e+05 5.82612e+05 -4.10418e+06 9.79570e+03 Potential Pressure (bar) -3.36302e+06 -4.85630e+03 Step Time 3797 3797.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04927e+03 6.06952e+03 1.98739e+04 2.40765e+02 -1.09034e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92816e+03 1.16688e+05 5.82620e+05 -4.10420e+06 9.79564e+03 Potential Pressure (bar) -3.36302e+06 -4.85713e+03 Step Time 3798 3798.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05478e+03 6.06737e+03 1.98740e+04 2.40806e+02 -1.09040e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92935e+03 1.16686e+05 5.82630e+05 -4.10421e+06 9.79557e+03 Potential Pressure (bar) -3.36302e+06 -4.85592e+03 Step Time 3799 3799.00000 Step Time 3800 3800.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03350e+03 6.06594e+03 1.98740e+04 2.40778e+02 -1.09036e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92860e+03 1.16687e+05 5.82633e+05 -4.10422e+06 9.79554e+03 Potential Pressure (bar) -3.36306e+06 -4.85639e+03 Step Time 3801 3801.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06529e+03 6.06879e+03 1.98742e+04 2.40788e+02 -1.09044e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92925e+03 1.16685e+05 5.82700e+05 -4.10437e+06 9.79509e+03 Potential Pressure (bar) -3.36310e+06 -4.85492e+03 Step Time 3802 3802.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03678e+03 6.06680e+03 1.98742e+04 2.40752e+02 -1.09039e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92820e+03 1.16687e+05 5.82704e+05 -4.10438e+06 9.79505e+03 Potential Pressure (bar) -3.36314e+06 -4.85562e+03 Step Time 3803 3803.00000 Step Time 3804 3804.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04034e+03 6.06599e+03 1.98743e+04 2.40772e+02 -1.09042e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92882e+03 1.16686e+05 5.82715e+05 -4.10441e+06 9.79495e+03 Potential Pressure (bar) -3.36315e+06 -4.85491e+03 Step Time 3805 3805.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04084e+03 6.06775e+03 1.98742e+04 2.40747e+02 -1.09039e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92805e+03 1.16687e+05 5.82722e+05 -4.10443e+06 9.79493e+03 Potential Pressure (bar) -3.36316e+06 -4.85548e+03 Step Time 3806 3806.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04728e+03 6.06668e+03 1.98743e+04 2.40774e+02 -1.09043e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92892e+03 1.16686e+05 5.82732e+05 -4.10445e+06 9.79483e+03 Potential Pressure (bar) -3.36316e+06 -4.85455e+03 Step Time 3807 3807.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04942e+03 6.06958e+03 1.98743e+04 2.40736e+02 -1.09039e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92782e+03 1.16688e+05 5.82739e+05 -4.10447e+06 9.79486e+03 Potential Pressure (bar) -3.36318e+06 -4.85548e+03 Step Time 3808 3808.00000 Step Time 3809 3809.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03380e+03 6.06567e+03 1.98743e+04 2.40756e+02 -1.09042e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92844e+03 1.16686e+05 5.82744e+05 -4.10448e+06 9.79476e+03 Potential Pressure (bar) -3.36320e+06 -4.85473e+03 Step Time 3810 3810.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05785e+03 6.07107e+03 1.98744e+04 2.40731e+02 -1.09039e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92759e+03 1.16688e+05 5.82772e+05 -4.10454e+06 9.79462e+03 Potential Pressure (bar) -3.36321e+06 -4.85521e+03 Step Time 3811 3811.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03645e+03 6.06574e+03 1.98744e+04 2.40757e+02 -1.09044e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92849e+03 1.16686e+05 5.82777e+05 -4.10455e+06 9.79456e+03 Potential Pressure (bar) -3.36324e+06 -4.85416e+03 Step Time 3812 3812.00000 Step Time 3813 3813.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03870e+03 6.06728e+03 1.98744e+04 2.40737e+02 -1.09042e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92792e+03 1.16687e+05 5.82785e+05 -4.10457e+06 9.79449e+03 Potential Pressure (bar) -3.36325e+06 -4.85458e+03 Step Time 3814 3814.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03990e+03 6.06603e+03 1.98745e+04 2.40759e+02 -1.09045e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92856e+03 1.16686e+05 5.82795e+05 -4.10459e+06 9.79445e+03 Potential Pressure (bar) -3.36326e+06 -4.85382e+03 Step Time 3815 3815.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04402e+03 6.06843e+03 1.98745e+04 2.40730e+02 -1.09042e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92775e+03 1.16687e+05 5.82802e+05 -4.10461e+06 9.79442e+03 Potential Pressure (bar) -3.36326e+06 -4.85447e+03 Step Time 3816 3816.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04717e+03 6.06675e+03 1.98746e+04 2.40762e+02 -1.09046e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92869e+03 1.16685e+05 5.82812e+05 -4.10463e+06 9.79437e+03 Potential Pressure (bar) -3.36327e+06 -4.85347e+03 Step Time 3817 3817.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05482e+03 6.07065e+03 1.98745e+04 2.40721e+02 -1.09041e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92751e+03 1.16687e+05 5.82820e+05 -4.10465e+06 9.79434e+03 Potential Pressure (bar) -3.36327e+06 -4.85447e+03 Step Time 3818 3818.00000 Step Time 3819 3819.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03370e+03 6.06578e+03 1.98746e+04 2.40742e+02 -1.09045e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92818e+03 1.16686e+05 5.82824e+05 -4.10466e+06 9.79427e+03 Potential Pressure (bar) -3.36330e+06 -4.85365e+03 Step Time 3820 3820.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06541e+03 6.07248e+03 1.98747e+04 2.40701e+02 -1.09043e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92722e+03 1.16687e+05 5.82867e+05 -4.10476e+06 9.79402e+03 Potential Pressure (bar) -3.36332e+06 -4.85400e+03 Step Time 3821 3821.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03602e+03 6.06577e+03 1.98747e+04 2.40734e+02 -1.09048e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92820e+03 1.16686e+05 5.82872e+05 -4.10476e+06 9.79395e+03 Potential Pressure (bar) -3.36336e+06 -4.85284e+03 Step Time 3822 3822.00000 Step Time 3823 3823.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04139e+03 6.06787e+03 1.98747e+04 2.40714e+02 -1.09045e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92759e+03 1.16687e+05 5.82882e+05 -4.10478e+06 9.79391e+03 Potential Pressure (bar) -3.36336e+06 -4.85328e+03 Step Time 3824 3824.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03948e+03 6.06605e+03 1.98748e+04 2.40741e+02 -1.09049e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92828e+03 1.16685e+05 5.82890e+05 -4.10480e+06 9.79385e+03 Potential Pressure (bar) -3.36337e+06 -4.85251e+03 Step Time 3825 3825.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04818e+03 6.06931e+03 1.98748e+04 2.40703e+02 -1.09045e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92739e+03 1.16687e+05 5.82899e+05 -4.10482e+06 9.79377e+03 Potential Pressure (bar) -3.36338e+06 -4.85319e+03 Step Time 3826 3826.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04716e+03 6.06679e+03 1.98748e+04 2.40740e+02 -1.09050e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92841e+03 1.16685e+05 5.82907e+05 -4.10484e+06 9.79374e+03 Potential Pressure (bar) -3.36338e+06 -4.85214e+03 Step Time 3827 3827.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06157e+03 6.07203e+03 1.98748e+04 2.40696e+02 -1.09045e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92714e+03 1.16687e+05 5.82916e+05 -4.10487e+06 9.79374e+03 Potential Pressure (bar) -3.36338e+06 -4.85320e+03 Step Time 3828 3828.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06383e+03 6.06859e+03 1.98749e+04 2.40751e+02 -1.09053e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92863e+03 1.16684e+05 5.82925e+05 -4.10488e+06 9.79368e+03 Potential Pressure (bar) -3.36339e+06 -4.85177e+03 Step Time 3829 3829.00000 Step Time 3830 3830.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03473e+03 6.06644e+03 1.98749e+04 2.40713e+02 -1.09048e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92770e+03 1.16686e+05 5.82928e+05 -4.10489e+06 9.79360e+03 Potential Pressure (bar) -3.36343e+06 -4.85233e+03 Step Time 3831 3831.00000 Step Time 3832 3832.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04213e+03 6.06630e+03 1.98750e+04 2.40729e+02 -1.09051e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92817e+03 1.16685e+05 5.82948e+05 -4.10494e+06 9.79341e+03 Potential Pressure (bar) -3.36345e+06 -4.85162e+03 Step Time 3833 3833.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03701e+03 6.06700e+03 1.98749e+04 2.40702e+02 -1.09048e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92751e+03 1.16686e+05 5.82954e+05 -4.10495e+06 9.79346e+03 Potential Pressure (bar) -3.36346e+06 -4.85210e+03 Step Time 3834 3834.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04830e+03 6.06694e+03 1.98750e+04 2.40727e+02 -1.09053e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92826e+03 1.16685e+05 5.82968e+05 -4.10498e+06 9.79338e+03 Potential Pressure (bar) -3.36346e+06 -4.85127e+03 Step Time 3835 3835.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04224e+03 6.06820e+03 1.98750e+04 2.40694e+02 -1.09048e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92731e+03 1.16686e+05 5.82974e+05 -4.10500e+06 9.79336e+03 Potential Pressure (bar) -3.36348e+06 -4.85198e+03 Step Time 3836 3836.00000 Step Time 3837 3837.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03512e+03 6.06582e+03 1.98750e+04 2.40709e+02 -1.09051e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92785e+03 1.16685e+05 5.82980e+05 -4.10501e+06 9.79333e+03 Potential Pressure (bar) -3.36350e+06 -4.85135e+03 Step Time 3838 3838.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04757e+03 6.06928e+03 1.98750e+04 2.40684e+02 -1.09049e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92713e+03 1.16686e+05 5.82994e+05 -4.10504e+06 9.79323e+03 Potential Pressure (bar) -3.36350e+06 -4.85183e+03 Step Time 3839 3839.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03821e+03 6.06599e+03 1.98751e+04 2.40709e+02 -1.09053e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92792e+03 1.16685e+05 5.83001e+05 -4.10505e+06 9.79315e+03 Potential Pressure (bar) -3.36352e+06 -4.85098e+03 Step Time 3840 3840.00000 Step Time 3841 3841.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03589e+03 6.06671e+03 1.98751e+04 2.40692e+02 -1.09051e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92742e+03 1.16686e+05 5.83006e+05 -4.10507e+06 9.79311e+03 Potential Pressure (bar) -3.36353e+06 -4.85133e+03 Step Time 3842 3842.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04159e+03 6.06629e+03 1.98752e+04 2.40711e+02 -1.09055e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92796e+03 1.16685e+05 5.83020e+05 -4.10509e+06 9.79302e+03 Potential Pressure (bar) -3.36354e+06 -4.85063e+03 Step Time 3843 3843.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03894e+03 6.06746e+03 1.98752e+04 2.40683e+02 -1.09051e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92725e+03 1.16686e+05 5.83026e+05 -4.10512e+06 9.79304e+03 Potential Pressure (bar) -3.36355e+06 -4.85112e+03 Step Time 3844 3844.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04815e+03 6.06696e+03 1.98752e+04 2.40711e+02 -1.09056e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92805e+03 1.16684e+05 5.83038e+05 -4.10514e+06 9.79299e+03 Potential Pressure (bar) -3.36355e+06 -4.85027e+03 Step Time 3845 3845.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04569e+03 6.06894e+03 1.98752e+04 2.40675e+02 -1.09051e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92703e+03 1.16686e+05 5.83044e+05 -4.10516e+06 9.79294e+03 Potential Pressure (bar) -3.36357e+06 -4.85109e+03 Step Time 3846 3846.00000 Step Time 3847 3847.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03481e+03 6.06588e+03 1.98752e+04 2.40692e+02 -1.09054e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92761e+03 1.16685e+05 5.83050e+05 -4.10517e+06 9.79279e+03 Potential Pressure (bar) -3.36359e+06 -4.85040e+03 Step Time 3848 3848.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05240e+03 6.07023e+03 1.98753e+04 2.40667e+02 -1.09052e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92685e+03 1.16686e+05 5.83069e+05 -4.10522e+06 9.79284e+03 Potential Pressure (bar) -3.36359e+06 -4.85093e+03 Step Time 3849 3849.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03770e+03 6.06602e+03 1.98753e+04 2.40694e+02 -1.09056e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92768e+03 1.16685e+05 5.83075e+05 -4.10522e+06 9.79272e+03 Potential Pressure (bar) -3.36361e+06 -4.84993e+03 Step Time 3850 3850.00000 Step Time 3851 3851.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03738e+03 6.06711e+03 1.98753e+04 2.40673e+02 -1.09054e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92714e+03 1.16685e+05 5.83082e+05 -4.10524e+06 9.79275e+03 Potential Pressure (bar) -3.36362e+06 -4.85034e+03 Step Time 3852 3852.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04114e+03 6.06631e+03 1.98754e+04 2.40695e+02 -1.09057e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92774e+03 1.16684e+05 5.83093e+05 -4.10526e+06 9.79263e+03 Potential Pressure (bar) -3.36363e+06 -4.84963e+03 Step Time 3853 3853.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04145e+03 6.06804e+03 1.98754e+04 2.40668e+02 -1.09054e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92697e+03 1.16686e+05 5.83100e+05 -4.10529e+06 9.79260e+03 Potential Pressure (bar) -3.36365e+06 -4.85020e+03 Step Time 3854 3854.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04806e+03 6.06700e+03 1.98754e+04 2.40697e+02 -1.09058e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92785e+03 1.16684e+05 5.83110e+05 -4.10530e+06 9.79250e+03 Potential Pressure (bar) -3.36365e+06 -4.84930e+03 Step Time 3855 3855.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05000e+03 6.06986e+03 1.98754e+04 2.40655e+02 -1.09054e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92675e+03 1.16686e+05 5.83117e+05 -4.10532e+06 9.79254e+03 Potential Pressure (bar) -3.36366e+06 -4.85020e+03 Step Time 3856 3856.00000 Step Time 3857 3857.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03456e+03 6.06598e+03 1.98755e+04 2.40675e+02 -1.09057e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92737e+03 1.16685e+05 5.83122e+05 -4.10533e+06 9.79246e+03 Potential Pressure (bar) -3.36368e+06 -4.84944e+03 Step Time 3858 3858.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05843e+03 6.07135e+03 1.98755e+04 2.40645e+02 -1.09053e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92652e+03 1.16686e+05 5.83148e+05 -4.10539e+06 9.79238e+03 Potential Pressure (bar) -3.36368e+06 -4.84992e+03 Step Time 3859 3859.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03724e+03 6.06604e+03 1.98756e+04 2.40675e+02 -1.09058e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92744e+03 1.16684e+05 5.83154e+05 -4.10540e+06 9.79229e+03 Potential Pressure (bar) -3.36371e+06 -4.84888e+03 Step Time 3860 3860.00000 Step Time 3861 3861.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03937e+03 6.06758e+03 1.98755e+04 2.40653e+02 -1.09057e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92685e+03 1.16685e+05 5.83162e+05 -4.10542e+06 9.79225e+03 Potential Pressure (bar) -3.36373e+06 -4.84926e+03 Step Time 3862 3862.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04070e+03 6.06632e+03 1.98756e+04 2.40675e+02 -1.09060e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92751e+03 1.16684e+05 5.83172e+05 -4.10544e+06 9.79219e+03 Potential Pressure (bar) -3.36373e+06 -4.84857e+03 Step Time 3863 3863.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04465e+03 6.06875e+03 1.98756e+04 2.40645e+02 -1.09057e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92668e+03 1.16685e+05 5.83179e+05 -4.10546e+06 9.79218e+03 Potential Pressure (bar) -3.36374e+06 -4.84917e+03 Step Time 3864 3864.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04799e+03 6.06701e+03 1.98757e+04 2.40677e+02 -1.09061e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92763e+03 1.16683e+05 5.83188e+05 -4.10548e+06 9.79206e+03 Potential Pressure (bar) -3.36375e+06 -4.84820e+03 Step Time 3865 3865.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05538e+03 6.07096e+03 1.98756e+04 2.40635e+02 -1.09057e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92644e+03 1.16686e+05 5.83196e+05 -4.10550e+06 9.79205e+03 Potential Pressure (bar) -3.36375e+06 -4.84920e+03 Step Time 3866 3866.00000 Step Time 3867 3867.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03445e+03 6.06607e+03 1.98757e+04 2.40658e+02 -1.09060e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92711e+03 1.16684e+05 5.83201e+05 -4.10551e+06 9.79199e+03 Potential Pressure (bar) -3.36378e+06 -4.84835e+03 Step Time 3868 3868.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06592e+03 6.07274e+03 1.98758e+04 2.40620e+02 -1.09057e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92615e+03 1.16686e+05 5.83242e+05 -4.10560e+06 9.79187e+03 Potential Pressure (bar) -3.36380e+06 -4.84870e+03 Step Time 3869 3869.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03678e+03 6.06605e+03 1.98758e+04 2.40655e+02 -1.09062e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92715e+03 1.16684e+05 5.83247e+05 -4.10561e+06 9.79175e+03 Potential Pressure (bar) -3.36383e+06 -4.84755e+03 Step Time 3870 3870.00000 Step Time 3871 3871.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04202e+03 6.06818e+03 1.98758e+04 2.40630e+02 -1.09060e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92653e+03 1.16685e+05 5.83256e+05 -4.10563e+06 9.79169e+03 Potential Pressure (bar) -3.36384e+06 -4.84798e+03 Step Time 3872 3872.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04026e+03 6.06631e+03 1.98759e+04 2.40656e+02 -1.09064e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92723e+03 1.16683e+05 5.83264e+05 -4.10565e+06 9.79166e+03 Potential Pressure (bar) -3.36385e+06 -4.84722e+03 Step Time 3873 3873.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04876e+03 6.06962e+03 1.98759e+04 2.40622e+02 -1.09060e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92634e+03 1.16685e+05 5.83273e+05 -4.10567e+06 9.79161e+03 Potential Pressure (bar) -3.36385e+06 -4.84794e+03 Step Time 3874 3874.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04791e+03 6.06705e+03 1.98759e+04 2.40659e+02 -1.09065e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92737e+03 1.16683e+05 5.83282e+05 -4.10569e+06 9.79160e+03 Potential Pressure (bar) -3.36386e+06 -4.84688e+03 Step Time 3875 3875.00000 Step Time 3876 3876.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03513e+03 6.06658e+03 1.98759e+04 2.40634e+02 -1.09062e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92671e+03 1.16684e+05 5.83286e+05 -4.10570e+06 9.79151e+03 Potential Pressure (bar) -3.36388e+06 -4.84728e+03 Step Time 3877 3877.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05531e+03 6.06788e+03 1.98760e+04 2.40652e+02 -1.09067e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92736e+03 1.16683e+05 5.83320e+05 -4.10577e+06 9.79138e+03 Potential Pressure (bar) -3.36390e+06 -4.84630e+03 Step Time 3878 3878.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03815e+03 6.06740e+03 1.98760e+04 2.40616e+02 -1.09063e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92644e+03 1.16684e+05 5.83324e+05 -4.10578e+06 9.79133e+03 Potential Pressure (bar) -3.36393e+06 -4.84692e+03 Step Time 3879 3879.00000 Step Time 3880 3880.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03844e+03 6.06620e+03 1.98761e+04 2.40636e+02 -1.09066e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92697e+03 1.16683e+05 5.83334e+05 -4.10580e+06 9.79128e+03 Potential Pressure (bar) -3.36394e+06 -4.84630e+03 Step Time 3881 3881.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04170e+03 6.06820e+03 1.98761e+04 2.40613e+02 -1.09063e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92629e+03 1.16684e+05 5.83342e+05 -4.10583e+06 9.79122e+03 Potential Pressure (bar) -3.36395e+06 -4.84679e+03 Step Time 3882 3882.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04299e+03 6.06659e+03 1.98761e+04 2.40639e+02 -1.09067e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92705e+03 1.16683e+05 5.83351e+05 -4.10584e+06 9.79123e+03 Potential Pressure (bar) -3.36395e+06 -4.84597e+03 Step Time 3883 3883.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04881e+03 6.06972e+03 1.98761e+04 2.40606e+02 -1.09063e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92610e+03 1.16685e+05 5.83358e+05 -4.10587e+06 9.79119e+03 Potential Pressure (bar) -3.36396e+06 -4.84673e+03 Step Time 3884 3884.00000 Step Time 3885 3885.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03468e+03 6.06620e+03 1.98761e+04 2.40624e+02 -1.09066e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92664e+03 1.16684e+05 5.83363e+05 -4.10587e+06 9.79110e+03 Potential Pressure (bar) -3.36398e+06 -4.84609e+03 Step Time 3886 3886.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05575e+03 6.07094e+03 1.98762e+04 2.40584e+02 -1.09064e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92584e+03 1.16685e+05 5.83408e+05 -4.10598e+06 9.79094e+03 Potential Pressure (bar) -3.36402e+06 -4.84617e+03 Step Time 3887 3887.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03604e+03 6.06615e+03 1.98763e+04 2.40610e+02 -1.09068e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92663e+03 1.16683e+05 5.83414e+05 -4.10598e+06 9.79090e+03 Potential Pressure (bar) -3.36404e+06 -4.84524e+03 Step Time 3888 3888.00000 Step Time 3889 3889.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03999e+03 6.06781e+03 1.98763e+04 2.40592e+02 -1.09066e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92612e+03 1.16684e+05 5.83424e+05 -4.10601e+06 9.79084e+03 Potential Pressure (bar) -3.36405e+06 -4.84556e+03 Step Time 3890 3890.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03817e+03 6.06625e+03 1.98763e+04 2.40617e+02 -1.09070e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92669e+03 1.16683e+05 5.83431e+05 -4.10603e+06 9.79082e+03 Potential Pressure (bar) -3.36406e+06 -4.84494e+03 Step Time 3891 3891.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04450e+03 6.06880e+03 1.98763e+04 2.40585e+02 -1.09067e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92596e+03 1.16684e+05 5.83440e+05 -4.10605e+06 9.79075e+03 Potential Pressure (bar) -3.36407e+06 -4.84546e+03 Step Time 3892 3892.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04295e+03 6.06665e+03 1.98764e+04 2.40615e+02 -1.09071e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92678e+03 1.16682e+05 5.83449e+05 -4.10606e+06 9.79076e+03 Potential Pressure (bar) -3.36407e+06 -4.84459e+03 Step Time 3893 3893.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05330e+03 6.07062e+03 1.98764e+04 2.40576e+02 -1.09067e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92576e+03 1.16684e+05 5.83457e+05 -4.10608e+06 9.79069e+03 Potential Pressure (bar) -3.36408e+06 -4.84543e+03 Step Time 3894 3894.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05338e+03 6.06773e+03 1.98765e+04 2.40622e+02 -1.09072e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92695e+03 1.16682e+05 5.83466e+05 -4.10610e+06 9.79064e+03 Potential Pressure (bar) -3.36408e+06 -4.84426e+03 Step Time 3895 3895.00000 Step Time 3896 3896.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03556e+03 6.06676e+03 1.98764e+04 2.40594e+02 -1.09069e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92620e+03 1.16683e+05 5.83470e+05 -4.10611e+06 9.79059e+03 Potential Pressure (bar) -3.36411e+06 -4.84472e+03 Step Time 3897 3897.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06339e+03 6.06891e+03 1.98766e+04 2.40617e+02 -1.09075e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92696e+03 1.16682e+05 5.83506e+05 -4.10619e+06 9.79052e+03 Potential Pressure (bar) -3.36412e+06 -4.84361e+03 Step Time 3898 3898.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03941e+03 6.06775e+03 1.98765e+04 2.40571e+02 -1.09070e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92590e+03 1.16684e+05 5.83510e+05 -4.10620e+06 9.79041e+03 Potential Pressure (bar) -3.36416e+06 -4.84433e+03 Step Time 3899 3899.00000 Step Time 3900 3900.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04038e+03 6.06650e+03 1.98766e+04 2.40596e+02 -1.09073e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92650e+03 1.16682e+05 5.83519e+05 -4.10622e+06 9.79036e+03 Potential Pressure (bar) -3.36417e+06 -4.84363e+03 Step Time 3901 3901.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04399e+03 6.06876e+03 1.98766e+04 2.40569e+02 -1.09070e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92574e+03 1.16684e+05 5.83528e+05 -4.10624e+06 9.79037e+03 Potential Pressure (bar) -3.36418e+06 -4.84420e+03 Step Time 3902 3902.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04659e+03 6.06709e+03 1.98767e+04 2.40601e+02 -1.09075e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92662e+03 1.16682e+05 5.83537e+05 -4.10626e+06 9.79032e+03 Potential Pressure (bar) -3.36418e+06 -4.84327e+03 Step Time 3903 3903.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05327e+03 6.07069e+03 1.98766e+04 2.40558e+02 -1.09070e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92552e+03 1.16684e+05 5.83545e+05 -4.10628e+06 9.79030e+03 Potential Pressure (bar) -3.36419e+06 -4.84416e+03 Step Time 3904 3904.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05968e+03 6.06849e+03 1.98767e+04 2.40608e+02 -1.09076e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92679e+03 1.16681e+05 5.83554e+05 -4.10629e+06 9.79026e+03 Potential Pressure (bar) -3.36419e+06 -4.84289e+03 Step Time 3905 3905.00000 Step Time 3906 3906.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03533e+03 6.06668e+03 1.98767e+04 2.40576e+02 -1.09073e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92599e+03 1.16683e+05 5.83557e+05 -4.10631e+06 9.79020e+03 Potential Pressure (bar) -3.36422e+06 -4.84340e+03 Step Time 3907 3907.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07153e+03 6.07009e+03 1.98769e+04 2.40591e+02 -1.09081e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92672e+03 1.16681e+05 5.83622e+05 -4.10644e+06 9.78987e+03 Potential Pressure (bar) -3.36425e+06 -4.84189e+03 Step Time 3908 3908.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03898e+03 6.06762e+03 1.98769e+04 2.40550e+02 -1.09075e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92560e+03 1.16683e+05 5.83626e+05 -4.10646e+06 9.78989e+03 Potential Pressure (bar) -3.36430e+06 -4.84267e+03 Step Time 3909 3909.00000 Step Time 3910 3910.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04313e+03 6.06683e+03 1.98769e+04 2.40574e+02 -1.09078e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92625e+03 1.16682e+05 5.83636e+05 -4.10648e+06 9.78983e+03 Potential Pressure (bar) -3.36431e+06 -4.84190e+03 Step Time 3911 3911.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04356e+03 6.06868e+03 1.98769e+04 2.40544e+02 -1.09075e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92544e+03 1.16683e+05 5.83643e+05 -4.10650e+06 9.78978e+03 Potential Pressure (bar) -3.36432e+06 -4.84254e+03 Step Time 3912 3912.00000 Step Time 3913 3913.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03541e+03 6.06637e+03 1.98770e+04 2.40558e+02 -1.09077e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92590e+03 1.16682e+05 5.83648e+05 -4.10651e+06 9.78975e+03 Potential Pressure (bar) -3.36434e+06 -4.84197e+03 Step Time 3914 3914.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04808e+03 6.06955e+03 1.98770e+04 2.40534e+02 -1.09075e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92526e+03 1.16683e+05 5.83670e+05 -4.10656e+06 9.78971e+03 Potential Pressure (bar) -3.36435e+06 -4.84227e+03 Step Time 3915 3915.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03700e+03 6.06639e+03 1.98770e+04 2.40558e+02 -1.09078e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92593e+03 1.16682e+05 5.83676e+05 -4.10657e+06 9.78964e+03 Potential Pressure (bar) -3.36437e+06 -4.84150e+03 Step Time 3916 3916.00000 Step Time 3917 3917.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03781e+03 6.06738e+03 1.98770e+04 2.40541e+02 -1.09077e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92550e+03 1.16683e+05 5.83683e+05 -4.10659e+06 9.78964e+03 Potential Pressure (bar) -3.36438e+06 -4.84174e+03 Step Time 3918 3918.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03899e+03 6.06651e+03 1.98771e+04 2.40556e+02 -1.09079e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92597e+03 1.16682e+05 5.83694e+05 -4.10661e+06 9.78965e+03 Potential Pressure (bar) -3.36438e+06 -4.84115e+03 Step Time 3919 3919.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04065e+03 6.06805e+03 1.98771e+04 2.40532e+02 -1.09077e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92536e+03 1.16683e+05 5.83700e+05 -4.10663e+06 9.78961e+03 Potential Pressure (bar) -3.36439e+06 -4.84162e+03 Step Time 3920 3920.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04312e+03 6.06687e+03 1.98772e+04 2.40557e+02 -1.09081e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92605e+03 1.16681e+05 5.83710e+05 -4.10664e+06 9.78947e+03 Potential Pressure (bar) -3.36440e+06 -4.84085e+03 Step Time 3921 3921.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04648e+03 6.06931e+03 1.98771e+04 2.40522e+02 -1.09077e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92517e+03 1.16683e+05 5.83718e+05 -4.10667e+06 9.78954e+03 Potential Pressure (bar) -3.36441e+06 -4.84153e+03 Step Time 3922 3922.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05167e+03 6.06776e+03 1.98772e+04 2.40559e+02 -1.09082e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92618e+03 1.16681e+05 5.83728e+05 -4.10668e+06 9.78947e+03 Potential Pressure (bar) -3.36441e+06 -4.84049e+03 Step Time 3923 3923.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05844e+03 6.07175e+03 1.98772e+04 2.40511e+02 -1.09076e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92493e+03 1.16683e+05 5.83735e+05 -4.10671e+06 9.78954e+03 Potential Pressure (bar) -3.36442e+06 -4.84157e+03 Step Time 3924 3924.00000 Step Time 3925 3925.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03555e+03 6.06646e+03 1.98772e+04 2.40535e+02 -1.09080e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92564e+03 1.16682e+05 5.83740e+05 -4.10672e+06 9.78939e+03 Potential Pressure (bar) -3.36445e+06 -4.84069e+03 Step Time 3926 3926.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07006e+03 6.07383e+03 1.98773e+04 2.40504e+02 -1.09078e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92467e+03 1.16683e+05 5.83776e+05 -4.10680e+06 9.78935e+03 Potential Pressure (bar) -3.36446e+06 -4.84121e+03 Step Time 3927 3927.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03843e+03 6.06651e+03 1.98773e+04 2.40537e+02 -1.09082e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92570e+03 1.16681e+05 5.83781e+05 -4.10681e+06 9.78923e+03 Potential Pressure (bar) -3.36450e+06 -4.83995e+03 Step Time 3928 3928.00000 Step Time 3929 3929.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04350e+03 6.06869e+03 1.98773e+04 2.40511e+02 -1.09080e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92504e+03 1.16682e+05 5.83790e+05 -4.10683e+06 9.78917e+03 Potential Pressure (bar) -3.36451e+06 -4.84043e+03 Step Time 3930 3930.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04260e+03 6.06684e+03 1.98774e+04 2.40539e+02 -1.09084e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92579e+03 1.16681e+05 5.83798e+05 -4.10685e+06 9.78917e+03 Potential Pressure (bar) -3.36452e+06 -4.83960e+03 Step Time 3931 3931.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05096e+03 6.07028e+03 1.98774e+04 2.40499e+02 -1.09080e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92485e+03 1.16683e+05 5.83806e+05 -4.10687e+06 9.78918e+03 Potential Pressure (bar) -3.36452e+06 -4.84035e+03 Step Time 3932 3932.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05162e+03 6.06775e+03 1.98774e+04 2.40540e+02 -1.09085e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92594e+03 1.16680e+05 5.83815e+05 -4.10688e+06 9.78910e+03 Potential Pressure (bar) -3.36453e+06 -4.83922e+03 Step Time 3933 3933.00000 Step Time 3934 3934.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03603e+03 6.06697e+03 1.98774e+04 2.40514e+02 -1.09082e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92524e+03 1.16682e+05 5.83819e+05 -4.10690e+06 9.78900e+03 Potential Pressure (bar) -3.36455e+06 -4.83968e+03 Step Time 3935 3935.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06027e+03 6.06875e+03 1.98776e+04 2.40534e+02 -1.09087e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92594e+03 1.16680e+05 5.83858e+05 -4.10697e+06 9.78893e+03 Potential Pressure (bar) -3.36457e+06 -4.83853e+03 Step Time 3936 3936.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03922e+03 6.06783e+03 1.98775e+04 2.40497e+02 -1.09083e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92495e+03 1.16682e+05 5.83862e+05 -4.10699e+06 9.78891e+03 Potential Pressure (bar) -3.36460e+06 -4.83921e+03 Step Time 3937 3937.00000 Step Time 3938 3938.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04039e+03 6.06671e+03 1.98776e+04 2.40518e+02 -1.09086e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92552e+03 1.16681e+05 5.83872e+05 -4.10701e+06 9.78885e+03 Potential Pressure (bar) -3.36461e+06 -4.83857e+03 Step Time 3939 3939.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04310e+03 6.06871e+03 1.98776e+04 2.40491e+02 -1.09083e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92480e+03 1.16682e+05 5.83880e+05 -4.10703e+06 9.78885e+03 Potential Pressure (bar) -3.36462e+06 -4.83910e+03 Step Time 3940 3940.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04579e+03 6.06723e+03 1.98776e+04 2.40518e+02 -1.09087e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92561e+03 1.16680e+05 5.83889e+05 -4.10705e+06 9.78884e+03 Potential Pressure (bar) -3.36462e+06 -4.83821e+03 Step Time 3941 3941.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05099e+03 6.07036e+03 1.98776e+04 2.40483e+02 -1.09083e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92460e+03 1.16682e+05 5.83897e+05 -4.10707e+06 9.78890e+03 Potential Pressure (bar) -3.36463e+06 -4.83903e+03 Step Time 3942 3942.00000 Step Time 3943 3943.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03571e+03 6.06661e+03 1.98777e+04 2.40502e+02 -1.09086e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92517e+03 1.16681e+05 5.83902e+05 -4.10708e+06 9.78872e+03 Potential Pressure (bar) -3.36465e+06 -4.83833e+03 Step Time 3944 3944.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05859e+03 6.07171e+03 1.98777e+04 2.40467e+02 -1.09084e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92435e+03 1.16682e+05 5.83939e+05 -4.10716e+06 9.78869e+03 Potential Pressure (bar) -3.36467e+06 -4.83860e+03 Step Time 3945 3945.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03746e+03 6.06659e+03 1.98778e+04 2.40495e+02 -1.09088e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92520e+03 1.16681e+05 5.83945e+05 -4.10717e+06 9.78860e+03 Potential Pressure (bar) -3.36470e+06 -4.83757e+03 Step Time 3946 3946.00000 Step Time 3947 3947.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04118e+03 6.06826e+03 1.98778e+04 2.40477e+02 -1.09086e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92466e+03 1.16682e+05 5.83953e+05 -4.10719e+06 9.78856e+03 Potential Pressure (bar) -3.36471e+06 -4.83795e+03 Step Time 3948 3948.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04005e+03 6.06675e+03 1.98779e+04 2.40497e+02 -1.09089e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92526e+03 1.16680e+05 5.83961e+05 -4.10721e+06 9.78852e+03 Potential Pressure (bar) -3.36472e+06 -4.83726e+03 Step Time 3949 3949.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04612e+03 6.06935e+03 1.98778e+04 2.40469e+02 -1.09086e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92450e+03 1.16682e+05 5.83970e+05 -4.10723e+06 9.78855e+03 Potential Pressure (bar) -3.36473e+06 -4.83788e+03 Step Time 3950 3950.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04575e+03 6.06726e+03 1.98779e+04 2.40499e+02 -1.09090e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92536e+03 1.16680e+05 5.83979e+05 -4.10725e+06 9.78852e+03 Potential Pressure (bar) -3.36473e+06 -4.83694e+03 Step Time 3951 3951.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05592e+03 6.07135e+03 1.98779e+04 2.40459e+02 -1.09086e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92428e+03 1.16682e+05 5.83987e+05 -4.10727e+06 9.78852e+03 Potential Pressure (bar) -3.36474e+06 -4.83784e+03 Step Time 3952 3952.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05801e+03 6.06855e+03 1.98780e+04 2.40507e+02 -1.09092e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92554e+03 1.16679e+05 5.83996e+05 -4.10729e+06 9.78849e+03 Potential Pressure (bar) -3.36474e+06 -4.83656e+03 Step Time 3953 3953.00000 Step Time 3954 3954.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03643e+03 6.06714e+03 1.98780e+04 2.40474e+02 -1.09089e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92475e+03 1.16681e+05 5.84000e+05 -4.10730e+06 9.78848e+03 Potential Pressure (bar) -3.36477e+06 -4.83705e+03 Step Time 3955 3955.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06964e+03 6.07000e+03 1.98781e+04 2.40499e+02 -1.09094e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92556e+03 1.16679e+05 5.84041e+05 -4.10738e+06 9.78833e+03 Potential Pressure (bar) -3.36478e+06 -4.83582e+03 Step Time 3956 3956.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04055e+03 6.06819e+03 1.98781e+04 2.40454e+02 -1.09089e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92443e+03 1.16681e+05 5.84046e+05 -4.10739e+06 9.78831e+03 Potential Pressure (bar) -3.36482e+06 -4.83658e+03 Step Time 3957 3957.00000 Step Time 3958 3958.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04265e+03 6.06703e+03 1.98781e+04 2.40475e+02 -1.09092e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92508e+03 1.16680e+05 5.84055e+05 -4.10741e+06 9.78827e+03 Potential Pressure (bar) -3.36483e+06 -4.83586e+03 Step Time 3959 3959.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04558e+03 6.06930e+03 1.98781e+04 2.40450e+02 -1.09090e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92425e+03 1.16681e+05 5.84062e+05 -4.10744e+06 9.78824e+03 Potential Pressure (bar) -3.36484e+06 -4.83649e+03 Step Time 3960 3960.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05001e+03 6.06777e+03 1.98782e+04 2.40480e+02 -1.09094e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92520e+03 1.16679e+05 5.84072e+05 -4.10745e+06 9.78827e+03 Potential Pressure (bar) -3.36484e+06 -4.83549e+03 Step Time 3961 3961.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05588e+03 6.07142e+03 1.98781e+04 2.40437e+02 -1.09089e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92403e+03 1.16682e+05 5.84079e+05 -4.10747e+06 9.78828e+03 Potential Pressure (bar) -3.36484e+06 -4.83648e+03 Step Time 3962 3962.00000 Step Time 3963 3963.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03610e+03 6.06674e+03 1.98782e+04 2.40460e+02 -1.09093e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92469e+03 1.16680e+05 5.84084e+05 -4.10748e+06 9.78816e+03 Potential Pressure (bar) -3.36487e+06 -4.83567e+03 Step Time 3964 3964.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06589e+03 6.07315e+03 1.98782e+04 2.40426e+02 -1.09090e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92379e+03 1.16682e+05 5.84119e+05 -4.10756e+06 9.78809e+03 Potential Pressure (bar) -3.36488e+06 -4.83612e+03 Step Time 3965 3965.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03859e+03 6.06676e+03 1.98783e+04 2.40457e+02 -1.09094e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92475e+03 1.16680e+05 5.84125e+05 -4.10757e+06 9.78805e+03 Potential Pressure (bar) -3.36492e+06 -4.83495e+03 Step Time 3966 3966.00000 Step Time 3967 3967.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04297e+03 6.06872e+03 1.98783e+04 2.40433e+02 -1.09092e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92413e+03 1.16681e+05 5.84133e+05 -4.10759e+06 9.78802e+03 Potential Pressure (bar) -3.36493e+06 -4.83540e+03 Step Time 3968 3968.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04216e+03 6.06704e+03 1.98784e+04 2.40459e+02 -1.09096e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92482e+03 1.16679e+05 5.84142e+05 -4.10761e+06 9.78798e+03 Potential Pressure (bar) -3.36493e+06 -4.83462e+03 Step Time 3969 3969.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04941e+03 6.07009e+03 1.98784e+04 2.40424e+02 -1.09092e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92395e+03 1.16681e+05 5.84150e+05 -4.10763e+06 9.78795e+03 Potential Pressure (bar) -3.36494e+06 -4.83530e+03 Step Time 3970 3970.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04990e+03 6.06780e+03 1.98784e+04 2.40464e+02 -1.09097e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92496e+03 1.16679e+05 5.84159e+05 -4.10765e+06 9.78796e+03 Potential Pressure (bar) -3.36495e+06 -4.83424e+03 Step Time 3971 3971.00000 Step Time 3972 3972.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03654e+03 6.06719e+03 1.98784e+04 2.40438e+02 -1.09094e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92432e+03 1.16680e+05 5.84163e+05 -4.10766e+06 9.78787e+03 Potential Pressure (bar) -3.36497e+06 -4.83466e+03 Step Time 3973 3973.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05732e+03 6.06867e+03 1.98785e+04 2.40458e+02 -1.09099e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92494e+03 1.16679e+05 5.84202e+05 -4.10774e+06 9.78785e+03 Potential Pressure (bar) -3.36499e+06 -4.83358e+03 Step Time 3974 3974.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03933e+03 6.06795e+03 1.98785e+04 2.40423e+02 -1.09096e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92404e+03 1.16680e+05 5.84207e+05 -4.10776e+06 9.78784e+03 Potential Pressure (bar) -3.36502e+06 -4.83419e+03 Step Time 3975 3975.00000 Step Time 3976 3976.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04029e+03 6.06693e+03 1.98786e+04 2.40437e+02 -1.09098e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92456e+03 1.16679e+05 5.84216e+05 -4.10777e+06 9.78779e+03 Potential Pressure (bar) -3.36503e+06 -4.83360e+03 Step Time 3977 3977.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04267e+03 6.06873e+03 1.98786e+04 2.40415e+02 -1.09096e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92390e+03 1.16680e+05 5.84224e+05 -4.10779e+06 9.78779e+03 Potential Pressure (bar) -3.36504e+06 -4.83405e+03 Step Time 3978 3978.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04491e+03 6.06735e+03 1.98786e+04 2.40435e+02 -1.09099e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92465e+03 1.16679e+05 5.84233e+05 -4.10781e+06 9.78773e+03 Potential Pressure (bar) -3.36504e+06 -4.83324e+03 Step Time 3979 3979.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04946e+03 6.07018e+03 1.98786e+04 2.40402e+02 -1.09095e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92371e+03 1.16681e+05 5.84241e+05 -4.10783e+06 9.78778e+03 Potential Pressure (bar) -3.36505e+06 -4.83400e+03 Step Time 3980 3980.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05462e+03 6.06834e+03 1.98787e+04 2.40441e+02 -1.09100e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92478e+03 1.16678e+05 5.84250e+05 -4.10784e+06 9.78771e+03 Potential Pressure (bar) -3.36505e+06 -4.83288e+03 Step Time 3981 3981.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06333e+03 6.07300e+03 1.98786e+04 2.40393e+02 -1.09095e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92346e+03 1.16681e+05 5.84258e+05 -4.10787e+06 9.78778e+03 Potential Pressure (bar) -3.36506e+06 -4.83401e+03 Step Time 3982 3982.00000 Step Time 3983 3983.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03642e+03 6.06687e+03 1.98787e+04 2.40420e+02 -1.09098e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92422e+03 1.16679e+05 5.84262e+05 -4.10788e+06 9.78765e+03 Potential Pressure (bar) -3.36509e+06 -4.83304e+03 Step Time 3984 3984.00000 Step Time 3985 3985.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04503e+03 6.06917e+03 1.98787e+04 2.40397e+02 -1.09097e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92367e+03 1.16680e+05 5.84283e+05 -4.10792e+06 9.78765e+03 Potential Pressure (bar) -3.36511e+06 -4.83322e+03 Step Time 3986 3986.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03755e+03 6.06682e+03 1.98787e+04 2.40417e+02 -1.09100e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92423e+03 1.16679e+05 5.84289e+05 -4.10793e+06 9.78766e+03 Potential Pressure (bar) -3.36512e+06 -4.83257e+03 Step Time 3987 3987.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05060e+03 6.07037e+03 1.98788e+04 2.40385e+02 -1.09097e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92353e+03 1.16680e+05 5.84302e+05 -4.10797e+06 9.78761e+03 Potential Pressure (bar) -3.36512e+06 -4.83306e+03 Step Time 3988 3988.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04082e+03 6.06702e+03 1.98788e+04 2.40416e+02 -1.09101e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92432e+03 1.16679e+05 5.84309e+05 -4.10798e+06 9.78754e+03 Potential Pressure (bar) -3.36514e+06 -4.83216e+03 Step Time 3989 3989.00000 Step Time 3990 3990.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03832e+03 6.06773e+03 1.98788e+04 2.40395e+02 -1.09099e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92381e+03 1.16680e+05 5.84315e+05 -4.10799e+06 9.78755e+03 Potential Pressure (bar) -3.36515e+06 -4.83252e+03 Step Time 3991 3991.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04439e+03 6.06735e+03 1.98789e+04 2.40416e+02 -1.09102e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92437e+03 1.16679e+05 5.84329e+05 -4.10802e+06 9.78755e+03 Potential Pressure (bar) -3.36516e+06 -4.83185e+03 Step Time 3992 3992.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04152e+03 6.06852e+03 1.98789e+04 2.40388e+02 -1.09099e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92364e+03 1.16680e+05 5.84334e+05 -4.10804e+06 9.78755e+03 Potential Pressure (bar) -3.36517e+06 -4.83234e+03 Step Time 3993 3993.00000 Step Time 3994 3994.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03696e+03 6.06686e+03 1.98789e+04 2.40401e+02 -1.09101e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92405e+03 1.16679e+05 5.84340e+05 -4.10805e+06 9.78747e+03 Potential Pressure (bar) -3.36518e+06 -4.83188e+03 Step Time 3995 3995.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04477e+03 6.06920e+03 1.98789e+04 2.40381e+02 -1.09100e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92350e+03 1.16680e+05 5.84355e+05 -4.10808e+06 9.78748e+03 Potential Pressure (bar) -3.36519e+06 -4.83217e+03 Step Time 3996 3996.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03869e+03 6.06691e+03 1.98790e+04 2.40402e+02 -1.09102e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92409e+03 1.16679e+05 5.84362e+05 -4.10809e+06 9.78745e+03 Potential Pressure (bar) -3.36521e+06 -4.83146e+03 Step Time 3997 3997.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05066e+03 6.07044e+03 1.98790e+04 2.40370e+02 -1.09100e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92333e+03 1.16680e+05 5.84373e+05 -4.10812e+06 9.78749e+03 Potential Pressure (bar) -3.36521e+06 -4.83201e+03 Step Time 3998 3998.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04311e+03 6.06725e+03 1.98790e+04 2.40399e+02 -1.09103e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92420e+03 1.16678e+05 5.84380e+05 -4.10814e+06 9.78749e+03 Potential Pressure (bar) -3.36523e+06 -4.83107e+03 Step Time 3999 3999.00000 Step Time 4000 4000.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03794e+03 6.06766e+03 1.98790e+04 2.40377e+02 -1.09101e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92365e+03 1.16679e+05 5.84385e+05 -4.10815e+06 9.78744e+03 Potential Pressure (bar) -3.36524e+06 -4.83147e+03 Step Time 4001 4001.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04768e+03 6.06773e+03 1.98791e+04 2.40404e+02 -1.09105e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92425e+03 1.16678e+05 5.84402e+05 -4.10818e+06 9.78738e+03 Potential Pressure (bar) -3.36525e+06 -4.83069e+03 Step Time 4002 4002.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04109e+03 6.06845e+03 1.98791e+04 2.40373e+02 -1.09102e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92346e+03 1.16680e+05 5.84407e+05 -4.10820e+06 9.78739e+03 Potential Pressure (bar) -3.36526e+06 -4.83123e+03 Step Time 4003 4003.00000 Step Time 4004 4004.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03776e+03 6.06693e+03 1.98791e+04 2.40385e+02 -1.09104e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92390e+03 1.16679e+05 5.84415e+05 -4.10821e+06 9.78731e+03 Potential Pressure (bar) -3.36527e+06 -4.83069e+03 Step Time 4005 4005.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04443e+03 6.06919e+03 1.98791e+04 2.40363e+02 -1.09102e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92333e+03 1.16680e+05 5.84425e+05 -4.10824e+06 9.78733e+03 Potential Pressure (bar) -3.36528e+06 -4.83109e+03 Step Time 4006 4006.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04022e+03 6.06706e+03 1.98792e+04 2.40387e+02 -1.09105e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92396e+03 1.16678e+05 5.84433e+05 -4.10825e+06 9.78728e+03 Potential Pressure (bar) -3.36529e+06 -4.83035e+03 Step Time 4007 4007.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05069e+03 6.07049e+03 1.98792e+04 2.40357e+02 -1.09102e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92315e+03 1.16680e+05 5.84443e+05 -4.10827e+06 9.78738e+03 Potential Pressure (bar) -3.36529e+06 -4.83099e+03 Step Time 4008 4008.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04602e+03 6.06756e+03 1.98792e+04 2.40389e+02 -1.09106e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92408e+03 1.16678e+05 5.84450e+05 -4.10829e+06 9.78731e+03 Potential Pressure (bar) -3.36530e+06 -4.82997e+03 Step Time 4009 4009.00000 Step Time 4010 4010.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03758e+03 6.06759e+03 1.98792e+04 2.40369e+02 -1.09104e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92349e+03 1.16679e+05 5.84455e+05 -4.10830e+06 9.78730e+03 Potential Pressure (bar) -3.36532e+06 -4.83035e+03 Step Time 4011 4011.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05181e+03 6.06817e+03 1.98793e+04 2.40387e+02 -1.09107e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92413e+03 1.16678e+05 5.84478e+05 -4.10835e+06 9.78731e+03 Potential Pressure (bar) -3.36533e+06 -4.82950e+03 Step Time 4012 4012.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04066e+03 6.06840e+03 1.98793e+04 2.40355e+02 -1.09104e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92328e+03 1.16679e+05 5.84484e+05 -4.10836e+06 9.78726e+03 Potential Pressure (bar) -3.36535e+06 -4.83008e+03 Step Time 4013 4013.00000 Step Time 4014 4014.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03891e+03 6.06700e+03 1.98793e+04 2.40371e+02 -1.09106e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92376e+03 1.16678e+05 5.84491e+05 -4.10837e+06 9.78720e+03 Potential Pressure (bar) -3.36536e+06 -4.82952e+03 Step Time 4015 4015.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04407e+03 6.06916e+03 1.98793e+04 2.40347e+02 -1.09104e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92313e+03 1.16679e+05 5.84500e+05 -4.10840e+06 9.78725e+03 Potential Pressure (bar) -3.36537e+06 -4.82996e+03 Step Time 4016 4016.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04226e+03 6.06725e+03 1.98794e+04 2.40371e+02 -1.09108e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92383e+03 1.16678e+05 5.84509e+05 -4.10841e+06 9.78721e+03 Potential Pressure (bar) -3.36537e+06 -4.82917e+03 Step Time 4017 4017.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05068e+03 6.07055e+03 1.98794e+04 2.40343e+02 -1.09104e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92296e+03 1.16679e+05 5.84518e+05 -4.10844e+06 9.78725e+03 Potential Pressure (bar) -3.36538e+06 -4.82984e+03 Step Time 4018 4018.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04968e+03 6.06797e+03 1.98794e+04 2.40376e+02 -1.09109e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92397e+03 1.16677e+05 5.84526e+05 -4.10845e+06 9.78714e+03 Potential Pressure (bar) -3.36539e+06 -4.82878e+03 Step Time 4019 4019.00000 Step Time 4020 4020.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03730e+03 6.06752e+03 1.98794e+04 2.40353e+02 -1.09107e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92333e+03 1.16679e+05 5.84530e+05 -4.10846e+06 9.78718e+03 Potential Pressure (bar) -3.36541e+06 -4.82922e+03 Step Time 4021 4021.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05684e+03 6.06879e+03 1.98795e+04 2.40371e+02 -1.09110e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92399e+03 1.16677e+05 5.84563e+05 -4.10853e+06 9.78718e+03 Potential Pressure (bar) -3.36543e+06 -4.82820e+03 Step Time 4022 4022.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04026e+03 6.06832e+03 1.98795e+04 2.40338e+02 -1.09107e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92307e+03 1.16679e+05 5.84568e+05 -4.10855e+06 9.78712e+03 Potential Pressure (bar) -3.36546e+06 -4.82881e+03 Step Time 4023 4023.00000 Step Time 4024 4024.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04045e+03 6.06716e+03 1.98796e+04 2.40355e+02 -1.09110e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92358e+03 1.16678e+05 5.84577e+05 -4.10857e+06 9.78711e+03 Potential Pressure (bar) -3.36547e+06 -4.82822e+03 Step Time 4025 4025.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04374e+03 6.06911e+03 1.98796e+04 2.40335e+02 -1.09107e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92293e+03 1.16679e+05 5.84585e+05 -4.10859e+06 9.78713e+03 Potential Pressure (bar) -3.36547e+06 -4.82867e+03 Step Time 4026 4026.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04485e+03 6.06754e+03 1.98796e+04 2.40356e+02 -1.09111e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92367e+03 1.16677e+05 5.84594e+05 -4.10860e+06 9.78709e+03 Potential Pressure (bar) -3.36548e+06 -4.82784e+03 Step Time 4027 4027.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05070e+03 6.07059e+03 1.98796e+04 2.40323e+02 -1.09107e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92273e+03 1.16679e+05 5.84602e+05 -4.10863e+06 9.78716e+03 Potential Pressure (bar) -3.36548e+06 -4.82863e+03 Step Time 4028 4028.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05422e+03 6.06851e+03 1.98797e+04 2.40359e+02 -1.09112e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92382e+03 1.16677e+05 5.84611e+05 -4.10864e+06 9.78707e+03 Potential Pressure (bar) -3.36549e+06 -4.82745e+03 Step Time 4029 4029.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06477e+03 6.07347e+03 1.98797e+04 2.40312e+02 -1.09107e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92248e+03 1.16679e+05 5.84619e+05 -4.10866e+06 9.78716e+03 Potential Pressure (bar) -3.36549e+06 -4.82864e+03 Step Time 4030 4030.00000 Step Time 4031 4031.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03693e+03 6.06717e+03 1.98797e+04 2.40339e+02 -1.09110e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92325e+03 1.16678e+05 5.84623e+05 -4.10867e+06 9.78705e+03 Potential Pressure (bar) -3.36552e+06 -4.82766e+03 Step Time 4032 4032.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07854e+03 6.07569e+03 1.98798e+04 2.40291e+02 -1.09107e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92219e+03 1.16680e+05 5.84670e+05 -4.10878e+06 9.78711e+03 Potential Pressure (bar) -3.36553e+06 -4.82813e+03 Step Time 4033 4033.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03979e+03 6.06715e+03 1.98799e+04 2.40330e+02 -1.09113e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92330e+03 1.16677e+05 5.84675e+05 -4.10878e+06 9.78697e+03 Potential Pressure (bar) -3.36558e+06 -4.82674e+03 Step Time 4034 4034.00000 Step Time 4035 4035.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04713e+03 6.06983e+03 1.98799e+04 2.40302e+02 -1.09110e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92258e+03 1.16679e+05 5.84685e+05 -4.10881e+06 9.78705e+03 Potential Pressure (bar) -3.36559e+06 -4.82724e+03 Step Time 4036 4036.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04424e+03 6.06752e+03 1.98799e+04 2.40331e+02 -1.09114e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92340e+03 1.16677e+05 5.84693e+05 -4.10882e+06 9.78700e+03 Potential Pressure (bar) -3.36560e+06 -4.82635e+03 Step Time 4037 4037.00000 Step Time 4038 4038.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03761e+03 6.06765e+03 1.98799e+04 2.40312e+02 -1.09112e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92288e+03 1.16678e+05 5.84698e+05 -4.10883e+06 9.78697e+03 Potential Pressure (bar) -3.36561e+06 -4.82669e+03 Step Time 4039 4039.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04866e+03 6.06797e+03 1.98800e+04 2.40330e+02 -1.09115e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92341e+03 1.16677e+05 5.84723e+05 -4.10888e+06 9.78701e+03 Potential Pressure (bar) -3.36563e+06 -4.82583e+03 Step Time 4040 4040.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03984e+03 6.06828e+03 1.98800e+04 2.40301e+02 -1.09112e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92268e+03 1.16678e+05 5.84728e+05 -4.10890e+06 9.78694e+03 Potential Pressure (bar) -3.36565e+06 -4.82636e+03 Step Time 4041 4041.00000 Step Time 4042 4042.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03884e+03 6.06717e+03 1.98800e+04 2.40310e+02 -1.09114e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92309e+03 1.16677e+05 5.84736e+05 -4.10892e+06 9.78694e+03 Potential Pressure (bar) -3.36566e+06 -4.82585e+03 Step Time 4043 4043.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04233e+03 6.06885e+03 1.98800e+04 2.40293e+02 -1.09112e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92256e+03 1.16678e+05 5.84745e+05 -4.10894e+06 9.78698e+03 Potential Pressure (bar) -3.36567e+06 -4.82619e+03 Step Time 4044 4044.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04142e+03 6.06733e+03 1.98801e+04 2.40315e+02 -1.09115e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92315e+03 1.16677e+05 5.84754e+05 -4.10895e+06 9.78694e+03 Potential Pressure (bar) -3.36567e+06 -4.82551e+03 Step Time 4045 4045.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04718e+03 6.06990e+03 1.98801e+04 2.40285e+02 -1.09112e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92239e+03 1.16678e+05 5.84762e+05 -4.10897e+06 9.78700e+03 Potential Pressure (bar) -3.36568e+06 -4.82609e+03 Step Time 4046 4046.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04705e+03 6.06787e+03 1.98801e+04 2.40316e+02 -1.09116e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92326e+03 1.16677e+05 5.84771e+05 -4.10898e+06 9.78694e+03 Potential Pressure (bar) -3.36568e+06 -4.82516e+03 Step Time 4047 4047.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05681e+03 6.07189e+03 1.98801e+04 2.40278e+02 -1.09112e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92218e+03 1.16678e+05 5.84780e+05 -4.10901e+06 9.78698e+03 Potential Pressure (bar) -3.36569e+06 -4.82606e+03 Step Time 4048 4048.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05923e+03 6.06915e+03 1.98802e+04 2.40323e+02 -1.09118e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92344e+03 1.16676e+05 5.84788e+05 -4.10902e+06 9.78690e+03 Potential Pressure (bar) -3.36569e+06 -4.82477e+03 Step Time 4049 4049.00000 Step Time 4050 4050.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03769e+03 6.06773e+03 1.98802e+04 2.40293e+02 -1.09115e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92265e+03 1.16677e+05 5.84792e+05 -4.10904e+06 9.78690e+03 Potential Pressure (bar) -3.36572e+06 -4.82527e+03 Step Time 4051 4051.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07070e+03 6.07051e+03 1.98803e+04 2.40312e+02 -1.09120e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92345e+03 1.16676e+05 5.84834e+05 -4.10912e+06 9.78692e+03 Potential Pressure (bar) -3.36573e+06 -4.82400e+03 Step Time 4052 4052.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04170e+03 6.06875e+03 1.98803e+04 2.40273e+02 -1.09116e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92234e+03 1.16678e+05 5.84838e+05 -4.10914e+06 9.78699e+03 Potential Pressure (bar) -3.36577e+06 -4.82477e+03 Step Time 4053 4053.00000 Step Time 4054 4054.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04397e+03 6.06762e+03 1.98803e+04 2.40294e+02 -1.09119e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92297e+03 1.16676e+05 5.84848e+05 -4.10916e+06 9.78694e+03 Potential Pressure (bar) -3.36578e+06 -4.82401e+03 Step Time 4055 4055.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04661e+03 6.06983e+03 1.98803e+04 2.40267e+02 -1.09115e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92217e+03 1.16678e+05 5.84856e+05 -4.10918e+06 9.78697e+03 Potential Pressure (bar) -3.36579e+06 -4.82461e+03 Step Time 4056 4056.00000 Step Time 4057 4057.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03727e+03 6.06732e+03 1.98804e+04 2.40280e+02 -1.09118e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92262e+03 1.16677e+05 5.84861e+05 -4.10918e+06 9.78691e+03 Potential Pressure (bar) -3.36580e+06 -4.82405e+03 Step Time 4058 4058.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05139e+03 6.07071e+03 1.98804e+04 2.40256e+02 -1.09117e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92199e+03 1.16678e+05 5.84891e+05 -4.10926e+06 9.78698e+03 Potential Pressure (bar) -3.36583e+06 -4.82419e+03 Step Time 4059 4059.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03851e+03 6.06728e+03 1.98805e+04 2.40277e+02 -1.09119e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92265e+03 1.16677e+05 5.84897e+05 -4.10926e+06 9.78686e+03 Potential Pressure (bar) -3.36584e+06 -4.82342e+03 Step Time 4060 4060.00000 Step Time 4061 4061.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04052e+03 6.06845e+03 1.98805e+04 2.40261e+02 -1.09118e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92221e+03 1.16677e+05 5.84905e+05 -4.10928e+06 9.78695e+03 Potential Pressure (bar) -3.36585e+06 -4.82370e+03 Step Time 4062 4062.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04024e+03 6.06737e+03 1.98805e+04 2.40277e+02 -1.09120e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92269e+03 1.16676e+05 5.84914e+05 -4.10930e+06 9.78692e+03 Potential Pressure (bar) -3.36586e+06 -4.82310e+03 Step Time 4063 4063.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04356e+03 6.06917e+03 1.98805e+04 2.40256e+02 -1.09118e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92208e+03 1.16677e+05 5.84922e+05 -4.10932e+06 9.78691e+03 Potential Pressure (bar) -3.36587e+06 -4.82354e+03 Step Time 4064 4064.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04394e+03 6.06766e+03 1.98806e+04 2.40280e+02 -1.09121e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92276e+03 1.16676e+05 5.84930e+05 -4.10933e+06 9.78681e+03 Potential Pressure (bar) -3.36587e+06 -4.82278e+03 Step Time 4065 4065.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04970e+03 6.07049e+03 1.98806e+04 2.40248e+02 -1.09118e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92191e+03 1.16678e+05 5.84939e+05 -4.10935e+06 9.78693e+03 Potential Pressure (bar) -3.36588e+06 -4.82345e+03 Step Time 4066 4066.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05185e+03 6.06844e+03 1.98806e+04 2.40280e+02 -1.09123e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92290e+03 1.16676e+05 5.84948e+05 -4.10937e+06 9.78693e+03 Potential Pressure (bar) -3.36588e+06 -4.82240e+03 Step Time 4067 4067.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06202e+03 6.07300e+03 1.98806e+04 2.40237e+02 -1.09118e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92167e+03 1.16678e+05 5.84956e+05 -4.10939e+06 9.78698e+03 Potential Pressure (bar) -3.36589e+06 -4.82346e+03 Step Time 4068 4068.00000 Step Time 4069 4069.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03740e+03 6.06742e+03 1.98806e+04 2.40257e+02 -1.09121e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92237e+03 1.16677e+05 5.84961e+05 -4.10940e+06 9.78689e+03 Potential Pressure (bar) -3.36592e+06 -4.82259e+03 Step Time 4070 4070.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07419e+03 6.07488e+03 1.98807e+04 2.40220e+02 -1.09119e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92138e+03 1.16678e+05 5.85012e+05 -4.10952e+06 9.78701e+03 Potential Pressure (bar) -3.36594e+06 -4.82278e+03 Step Time 4071 4071.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03972e+03 6.06741e+03 1.98808e+04 2.40254e+02 -1.09124e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92239e+03 1.16676e+05 5.85018e+05 -4.10952e+06 9.78692e+03 Potential Pressure (bar) -3.36598e+06 -4.82155e+03 Step Time 4072 4072.00000 Step Time 4073 4073.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04665e+03 6.06979e+03 1.98808e+04 2.40224e+02 -1.09121e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92174e+03 1.16677e+05 5.85027e+05 -4.10955e+06 9.78697e+03 Potential Pressure (bar) -3.36599e+06 -4.82199e+03 Step Time 4074 4074.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04343e+03 6.06770e+03 1.98809e+04 2.40257e+02 -1.09125e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92248e+03 1.16676e+05 5.85036e+05 -4.10956e+06 9.78688e+03 Potential Pressure (bar) -3.36600e+06 -4.82115e+03 Step Time 4075 4075.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05443e+03 6.07140e+03 1.98809e+04 2.40217e+02 -1.09121e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92156e+03 1.16677e+05 5.85044e+05 -4.10959e+06 9.78694e+03 Potential Pressure (bar) -3.36600e+06 -4.82191e+03 Step Time 4076 4076.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05178e+03 6.06853e+03 1.98809e+04 2.40259e+02 -1.09126e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92262e+03 1.16675e+05 5.85053e+05 -4.10960e+06 9.78698e+03 Potential Pressure (bar) -3.36601e+06 -4.82080e+03 Step Time 4077 4077.00000 Step Time 4078 4078.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03841e+03 6.06799e+03 1.98809e+04 2.40230e+02 -1.09123e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92194e+03 1.16676e+05 5.85057e+05 -4.10961e+06 9.78688e+03 Potential Pressure (bar) -3.36603e+06 -4.82121e+03 Step Time 4079 4079.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05991e+03 6.06943e+03 1.98810e+04 2.40251e+02 -1.09128e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92269e+03 1.16675e+05 5.85086e+05 -4.10967e+06 9.78700e+03 Potential Pressure (bar) -3.36604e+06 -4.82023e+03 Step Time 4080 4080.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04200e+03 6.06890e+03 1.98810e+04 2.40213e+02 -1.09124e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92170e+03 1.16677e+05 5.85091e+05 -4.10968e+06 9.78700e+03 Potential Pressure (bar) -3.36607e+06 -4.82086e+03 Step Time 4081 4081.00000 Step Time 4082 4082.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04148e+03 6.06757e+03 1.98810e+04 2.40234e+02 -1.09127e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92225e+03 1.16676e+05 5.85099e+05 -4.10970e+06 9.78693e+03 Potential Pressure (bar) -3.36607e+06 -4.82026e+03 Step Time 4083 4083.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04614e+03 6.06981e+03 1.98810e+04 2.40207e+02 -1.09124e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92155e+03 1.16677e+05 5.85108e+05 -4.10972e+06 9.78697e+03 Potential Pressure (bar) -3.36608e+06 -4.82072e+03 Step Time 4084 4084.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04639e+03 6.06801e+03 1.98811e+04 2.40238e+02 -1.09128e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92235e+03 1.16675e+05 5.85116e+05 -4.10973e+06 9.78695e+03 Potential Pressure (bar) -3.36609e+06 -4.81988e+03 Step Time 4085 4085.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05437e+03 6.07151e+03 1.98811e+04 2.40202e+02 -1.09124e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92135e+03 1.16677e+05 5.85124e+05 -4.10976e+06 9.78698e+03 Potential Pressure (bar) -3.36609e+06 -4.82067e+03 Step Time 4086 4086.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05694e+03 6.06912e+03 1.98811e+04 2.40243e+02 -1.09129e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92251e+03 1.16675e+05 5.85133e+05 -4.10977e+06 9.78696e+03 Potential Pressure (bar) -3.36609e+06 -4.81950e+03 Step Time 4087 4087.00000 Step Time 4088 4088.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03811e+03 6.06792e+03 1.98811e+04 2.40215e+02 -1.09126e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92177e+03 1.16676e+05 5.85137e+05 -4.10978e+06 9.78690e+03 Potential Pressure (bar) -3.36612e+06 -4.81995e+03 Step Time 4089 4089.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06677e+03 6.07032e+03 1.98813e+04 2.40228e+02 -1.09131e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92252e+03 1.16674e+05 5.85184e+05 -4.10987e+06 9.78703e+03 Potential Pressure (bar) -3.36614e+06 -4.81865e+03 Step Time 4090 4090.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04151e+03 6.06880e+03 1.98813e+04 2.40192e+02 -1.09127e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92148e+03 1.16676e+05 5.85188e+05 -4.10989e+06 9.78700e+03 Potential Pressure (bar) -3.36618e+06 -4.81936e+03 Step Time 4091 4091.00000 Step Time 4092 4092.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04369e+03 6.06779e+03 1.98813e+04 2.40213e+02 -1.09130e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92207e+03 1.16675e+05 5.85197e+05 -4.10990e+06 9.78702e+03 Potential Pressure (bar) -3.36618e+06 -4.81867e+03 Step Time 4093 4093.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04570e+03 6.06975e+03 1.98813e+04 2.40186e+02 -1.09127e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92132e+03 1.16676e+05 5.85205e+05 -4.10993e+06 9.78704e+03 Potential Pressure (bar) -3.36619e+06 -4.81922e+03 Step Time 4094 4094.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05002e+03 6.06841e+03 1.98814e+04 2.40217e+02 -1.09131e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92218e+03 1.16675e+05 5.85215e+05 -4.10994e+06 9.78703e+03 Potential Pressure (bar) -3.36620e+06 -4.81829e+03 Step Time 4095 4095.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05433e+03 6.07157e+03 1.98814e+04 2.40178e+02 -1.09127e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92110e+03 1.16677e+05 5.85223e+05 -4.10996e+06 9.78712e+03 Potential Pressure (bar) -3.36620e+06 -4.81916e+03 Step Time 4096 4096.00000 Step Time 4097 4097.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03795e+03 6.06755e+03 1.98814e+04 2.40195e+02 -1.09130e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92171e+03 1.16675e+05 5.85227e+05 -4.10997e+06 9.78700e+03 Potential Pressure (bar) -3.36622e+06 -4.81841e+03 Step Time 4098 4098.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06275e+03 6.07310e+03 1.98815e+04 2.40168e+02 -1.09127e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92089e+03 1.16677e+05 5.85259e+05 -4.11005e+06 9.78715e+03 Potential Pressure (bar) -3.36624e+06 -4.81874e+03 Step Time 4099 4099.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04018e+03 6.06754e+03 1.98815e+04 2.40196e+02 -1.09132e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92177e+03 1.16675e+05 5.85265e+05 -4.11005e+06 9.78708e+03 Potential Pressure (bar) -3.36627e+06 -4.81768e+03 Step Time 4100 4100.00000 Step Time 4101 4101.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04351e+03 6.06928e+03 1.98815e+04 2.40173e+02 -1.09130e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92120e+03 1.16676e+05 5.85274e+05 -4.11008e+06 9.78706e+03 Potential Pressure (bar) -3.36628e+06 -4.81808e+03 Step Time 4102 4102.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04326e+03 6.06777e+03 1.98816e+04 2.40193e+02 -1.09133e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92185e+03 1.16675e+05 5.85282e+05 -4.11009e+06 9.78707e+03 Potential Pressure (bar) -3.36628e+06 -4.81733e+03 Step Time 4103 4103.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04891e+03 6.07045e+03 1.98816e+04 2.40165e+02 -1.09130e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92104e+03 1.16676e+05 5.85291e+05 -4.11011e+06 9.78712e+03 Potential Pressure (bar) -3.36629e+06 -4.81798e+03 Step Time 4104 4104.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04993e+03 6.06839e+03 1.98816e+04 2.40196e+02 -1.09134e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92197e+03 1.16674e+05 5.85300e+05 -4.11012e+06 9.78715e+03 Potential Pressure (bar) -3.36629e+06 -4.81696e+03 Step Time 4105 4105.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05969e+03 6.07267e+03 1.98816e+04 2.40154e+02 -1.09129e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92082e+03 1.16676e+05 5.85308e+05 -4.11015e+06 9.78718e+03 Potential Pressure (bar) -3.36630e+06 -4.81791e+03 Step Time 4106 4106.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06422e+03 6.06993e+03 1.98817e+04 2.40201e+02 -1.09136e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92217e+03 1.16674e+05 5.85317e+05 -4.11016e+06 9.78722e+03 Potential Pressure (bar) -3.36630e+06 -4.81659e+03 Step Time 4107 4107.00000 Step Time 4108 4108.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03845e+03 6.06807e+03 1.98817e+04 2.40170e+02 -1.09132e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92131e+03 1.16675e+05 5.85321e+05 -4.11018e+06 9.78719e+03 Potential Pressure (bar) -3.36634e+06 -4.81712e+03 Step Time 4109 4109.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07764e+03 6.07165e+03 1.98818e+04 2.40204e+02 -1.09138e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92220e+03 1.16673e+05 5.85370e+05 -4.11027e+06 9.78726e+03 Potential Pressure (bar) -3.36634e+06 -4.81571e+03 Step Time 4110 4110.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04285e+03 6.06916e+03 1.98818e+04 2.40157e+02 -1.09133e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92098e+03 1.16675e+05 5.85374e+05 -4.11029e+06 9.78727e+03 Potential Pressure (bar) -3.36639e+06 -4.81651e+03 Step Time 4111 4111.00000 Step Time 4112 4112.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04629e+03 6.06813e+03 1.98818e+04 2.40176e+02 -1.09136e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92167e+03 1.16674e+05 5.85384e+05 -4.11030e+06 9.78728e+03 Potential Pressure (bar) -3.36639e+06 -4.81573e+03 Step Time 4113 4113.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04826e+03 6.07037e+03 1.98818e+04 2.40148e+02 -1.09133e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92080e+03 1.16676e+05 5.85390e+05 -4.11033e+06 9.78736e+03 Potential Pressure (bar) -3.36640e+06 -4.81642e+03 Step Time 4114 4114.00000 Step Time 4115 4115.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03820e+03 6.06765e+03 1.98819e+04 2.40163e+02 -1.09135e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92129e+03 1.16675e+05 5.85395e+05 -4.11033e+06 9.78727e+03 Potential Pressure (bar) -3.36642e+06 -4.81578e+03 Step Time 4116 4116.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05352e+03 6.07138e+03 1.98819e+04 2.40137e+02 -1.09134e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92062e+03 1.16676e+05 5.85422e+05 -4.11039e+06 9.78739e+03 Potential Pressure (bar) -3.36643e+06 -4.81604e+03 Step Time 4117 4117.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03976e+03 6.06762e+03 1.98820e+04 2.40159e+02 -1.09137e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92133e+03 1.16674e+05 5.85428e+05 -4.11040e+06 9.78737e+03 Potential Pressure (bar) -3.36645e+06 -4.81516e+03 Step Time 4118 4118.00000 Step Time 4119 4119.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04146e+03 6.06886e+03 1.98820e+04 2.40142e+02 -1.09135e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92088e+03 1.16675e+05 5.85436e+05 -4.11042e+06 9.78734e+03 Potential Pressure (bar) -3.36646e+06 -4.81547e+03 Step Time 4120 4120.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04183e+03 6.06774e+03 1.98820e+04 2.40157e+02 -1.09138e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92138e+03 1.16674e+05 5.85446e+05 -4.11044e+06 9.78740e+03 Potential Pressure (bar) -3.36647e+06 -4.81482e+03 Step Time 4121 4121.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04485e+03 6.06963e+03 1.98820e+04 2.40132e+02 -1.09135e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92073e+03 1.16675e+05 5.85454e+05 -4.11046e+06 9.78741e+03 Potential Pressure (bar) -3.36648e+06 -4.81532e+03 Step Time 4122 4122.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04624e+03 6.06811e+03 1.98821e+04 2.40158e+02 -1.09139e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92147e+03 1.16674e+05 5.85463e+05 -4.11047e+06 9.78740e+03 Potential Pressure (bar) -3.36648e+06 -4.81447e+03 Step Time 4123 4123.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05167e+03 6.07109e+03 1.98821e+04 2.40125e+02 -1.09135e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92054e+03 1.16675e+05 5.85471e+05 -4.11050e+06 9.78743e+03 Potential Pressure (bar) -3.36649e+06 -4.81525e+03 Step Time 4124 4124.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05556e+03 6.06906e+03 1.98821e+04 2.40165e+02 -1.09141e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92162e+03 1.16673e+05 5.85480e+05 -4.11051e+06 9.78742e+03 Potential Pressure (bar) -3.36649e+06 -4.81411e+03 Step Time 4125 4125.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06549e+03 6.07392e+03 1.98821e+04 2.40114e+02 -1.09135e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92030e+03 1.16676e+05 5.85488e+05 -4.11053e+06 9.78759e+03 Potential Pressure (bar) -3.36649e+06 -4.81526e+03 Step Time 4126 4126.00000 Step Time 4127 4127.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03830e+03 6.06776e+03 1.98821e+04 2.40140e+02 -1.09139e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92106e+03 1.16674e+05 5.85493e+05 -4.11054e+06 9.78744e+03 Potential Pressure (bar) -3.36653e+06 -4.81429e+03 Step Time 4128 4128.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07908e+03 6.07605e+03 1.98822e+04 2.40107e+02 -1.09136e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92000e+03 1.16676e+05 5.85537e+05 -4.11064e+06 9.78768e+03 Potential Pressure (bar) -3.36653e+06 -4.81473e+03 Step Time 4129 4129.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04123e+03 6.06773e+03 1.98823e+04 2.40144e+02 -1.09141e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92110e+03 1.16674e+05 5.85542e+05 -4.11065e+06 9.78761e+03 Potential Pressure (bar) -3.36658e+06 -4.81336e+03 Step Time 4130 4130.00000 Step Time 4131 4131.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04818e+03 6.07032e+03 1.98823e+04 2.40111e+02 -1.09138e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92041e+03 1.16675e+05 5.85552e+05 -4.11067e+06 9.78762e+03 Potential Pressure (bar) -3.36658e+06 -4.81388e+03 Step Time 4132 4132.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04565e+03 6.06810e+03 1.98823e+04 2.40142e+02 -1.09143e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92121e+03 1.16673e+05 5.85561e+05 -4.11068e+06 9.78765e+03 Potential Pressure (bar) -3.36659e+06 -4.81297e+03 Step Time 4133 4133.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05688e+03 6.07211e+03 1.98823e+04 2.40101e+02 -1.09138e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92022e+03 1.16675e+05 5.85569e+05 -4.11071e+06 9.78771e+03 Potential Pressure (bar) -3.36660e+06 -4.81375e+03 Step Time 4134 4134.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05548e+03 6.06908e+03 1.98824e+04 2.40146e+02 -1.09144e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92138e+03 1.16673e+05 5.85578e+05 -4.11072e+06 9.78772e+03 Potential Pressure (bar) -3.36660e+06 -4.81258e+03 Step Time 4135 4135.00000 Step Time 4136 4136.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03917e+03 6.06830e+03 1.98824e+04 2.40116e+02 -1.09141e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92065e+03 1.16674e+05 5.85582e+05 -4.11073e+06 9.78767e+03 Potential Pressure (bar) -3.36663e+06 -4.81303e+03 Step Time 4137 4137.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06496e+03 6.07020e+03 1.98825e+04 2.40146e+02 -1.09146e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92142e+03 1.16673e+05 5.85614e+05 -4.11079e+06 9.78780e+03 Potential Pressure (bar) -3.36663e+06 -4.81193e+03 Step Time 4138 4138.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04304e+03 6.06928e+03 1.98825e+04 2.40105e+02 -1.09142e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92038e+03 1.16674e+05 5.85619e+05 -4.11081e+06 9.78777e+03 Potential Pressure (bar) -3.36666e+06 -4.81265e+03 Step Time 4139 4139.00000 Step Time 4140 4140.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04330e+03 6.06793e+03 1.98825e+04 2.40123e+02 -1.09145e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92098e+03 1.16673e+05 5.85628e+05 -4.11083e+06 9.78781e+03 Potential Pressure (bar) -3.36667e+06 -4.81194e+03 Step Time 4141 4141.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04762e+03 6.07028e+03 1.98825e+04 2.40091e+02 -1.09141e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92023e+03 1.16675e+05 5.85636e+05 -4.11085e+06 9.78783e+03 Potential Pressure (bar) -3.36668e+06 -4.81252e+03 Step Time 4142 4142.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04912e+03 6.06847e+03 1.98826e+04 2.40123e+02 -1.09146e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92108e+03 1.16673e+05 5.85645e+05 -4.11086e+06 9.78782e+03 Potential Pressure (bar) -3.36669e+06 -4.81161e+03 Step Time 4143 4143.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05679e+03 6.07220e+03 1.98826e+04 2.40085e+02 -1.09141e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92002e+03 1.16675e+05 5.85654e+05 -4.11089e+06 9.78797e+03 Potential Pressure (bar) -3.36669e+06 -4.81245e+03 Step Time 4144 4144.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06151e+03 6.06979e+03 1.98826e+04 2.40129e+02 -1.09147e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92126e+03 1.16672e+05 5.85663e+05 -4.11090e+06 9.78794e+03 Potential Pressure (bar) -3.36670e+06 -4.81120e+03 Step Time 4145 4145.00000 Step Time 4146 4146.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03885e+03 6.06821e+03 1.98826e+04 2.40100e+02 -1.09144e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92048e+03 1.16674e+05 5.85666e+05 -4.11091e+06 9.78789e+03 Potential Pressure (bar) -3.36673e+06 -4.81169e+03 Step Time 4147 4147.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07298e+03 6.07121e+03 1.98828e+04 2.40122e+02 -1.09150e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92125e+03 1.16672e+05 5.85720e+05 -4.11102e+06 9.78811e+03 Potential Pressure (bar) -3.36674e+06 -4.81023e+03 Step Time 4148 4148.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04255e+03 6.06915e+03 1.98828e+04 2.40075e+02 -1.09145e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92015e+03 1.16674e+05 5.85725e+05 -4.11104e+06 9.78805e+03 Potential Pressure (bar) -3.36679e+06 -4.81098e+03 Step Time 4149 4149.00000 Step Time 4150 4150.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04590e+03 6.06818e+03 1.98828e+04 2.40100e+02 -1.09149e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92079e+03 1.16673e+05 5.85735e+05 -4.11105e+06 9.78808e+03 Potential Pressure (bar) -3.36679e+06 -4.81019e+03 Step Time 4151 4151.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04712e+03 6.07020e+03 1.98828e+04 2.40071e+02 -1.09145e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91999e+03 1.16674e+05 5.85742e+05 -4.11107e+06 9.78817e+03 Potential Pressure (bar) -3.36680e+06 -4.81083e+03 Step Time 4152 4152.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05338e+03 6.06894e+03 1.98829e+04 2.40102e+02 -1.09150e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92091e+03 1.16672e+05 5.85752e+05 -4.11109e+06 9.78815e+03 Potential Pressure (bar) -3.36680e+06 -4.80982e+03 Step Time 4153 4153.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05674e+03 6.07223e+03 1.98828e+04 2.40062e+02 -1.09145e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91977e+03 1.16675e+05 5.85760e+05 -4.11111e+06 9.78830e+03 Potential Pressure (bar) -3.36681e+06 -4.81077e+03 Step Time 4154 4154.00000 Step Time 4155 4155.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03891e+03 6.06784e+03 1.98829e+04 2.40082e+02 -1.09148e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92042e+03 1.16673e+05 5.85764e+05 -4.11112e+06 9.78823e+03 Potential Pressure (bar) -3.36684e+06 -4.80996e+03 Step Time 4156 4156.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06616e+03 6.07385e+03 1.98829e+04 2.40052e+02 -1.09145e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91954e+03 1.16675e+05 5.85793e+05 -4.11118e+06 9.78835e+03 Potential Pressure (bar) -3.36684e+06 -4.81042e+03 Step Time 4157 4157.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04169e+03 6.06789e+03 1.98830e+04 2.40082e+02 -1.09150e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92050e+03 1.16673e+05 5.85799e+05 -4.11119e+06 9.78829e+03 Potential Pressure (bar) -3.36687e+06 -4.80927e+03 Step Time 4158 4158.00000 Step Time 4159 4159.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04466e+03 6.06965e+03 1.98830e+04 2.40059e+02 -1.09148e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91990e+03 1.16674e+05 5.85807e+05 -4.11121e+06 9.78838e+03 Potential Pressure (bar) -3.36688e+06 -4.80969e+03 Step Time 4160 4160.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04539e+03 6.06818e+03 1.98830e+04 2.40084e+02 -1.09151e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92057e+03 1.16672e+05 5.85817e+05 -4.11122e+06 9.78838e+03 Potential Pressure (bar) -3.36688e+06 -4.80891e+03 Step Time 4161 4161.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05064e+03 6.07093e+03 1.98830e+04 2.40052e+02 -1.09148e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91972e+03 1.16674e+05 5.85825e+05 -4.11125e+06 9.78847e+03 Potential Pressure (bar) -3.36689e+06 -4.80960e+03 Step Time 4162 4162.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05327e+03 6.06894e+03 1.98831e+04 2.40086e+02 -1.09153e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92071e+03 1.16672e+05 5.85834e+05 -4.11126e+06 9.78845e+03 Potential Pressure (bar) -3.36689e+06 -4.80851e+03 Step Time 4163 4163.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06268e+03 6.07338e+03 1.98831e+04 2.40042e+02 -1.09147e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91949e+03 1.16674e+05 5.85843e+05 -4.11128e+06 9.78852e+03 Potential Pressure (bar) -3.36689e+06 -4.80958e+03 Step Time 4164 4164.00000 Step Time 4165 4165.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03880e+03 6.06792e+03 1.98831e+04 2.40065e+02 -1.09151e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92018e+03 1.16673e+05 5.85847e+05 -4.11129e+06 9.78850e+03 Potential Pressure (bar) -3.36692e+06 -4.80867e+03 Step Time 4166 4166.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07453e+03 6.07533e+03 1.98832e+04 2.40030e+02 -1.09148e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91922e+03 1.16674e+05 5.85895e+05 -4.11140e+06 9.78870e+03 Potential Pressure (bar) -3.36694e+06 -4.80896e+03 Step Time 4167 4167.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04118e+03 6.06785e+03 1.98832e+04 2.40062e+02 -1.09154e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92023e+03 1.16673e+05 5.85900e+05 -4.11140e+06 9.78867e+03 Potential Pressure (bar) -3.36698e+06 -4.80771e+03 Step Time 4168 4168.00000 Step Time 4169 4169.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04763e+03 6.07026e+03 1.98832e+04 2.40035e+02 -1.09151e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91958e+03 1.16674e+05 5.85910e+05 -4.11143e+06 9.78870e+03 Potential Pressure (bar) -3.36699e+06 -4.80815e+03 Step Time 4170 4170.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04490e+03 6.06814e+03 1.98833e+04 2.40062e+02 -1.09155e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92032e+03 1.16672e+05 5.85918e+05 -4.11144e+06 9.78872e+03 Potential Pressure (bar) -3.36699e+06 -4.80732e+03 Step Time 4171 4171.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05523e+03 6.07184e+03 1.98833e+04 2.40029e+02 -1.09150e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91940e+03 1.16674e+05 5.85927e+05 -4.11146e+06 9.78881e+03 Potential Pressure (bar) -3.36699e+06 -4.80806e+03 Step Time 4172 4172.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05321e+03 6.06895e+03 1.98833e+04 2.40068e+02 -1.09157e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92047e+03 1.16672e+05 5.85936e+05 -4.11148e+06 9.78881e+03 Potential Pressure (bar) -3.36700e+06 -4.80691e+03 Step Time 4173 4173.00000 Step Time 4174 4174.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03969e+03 6.06845e+03 1.98833e+04 2.40044e+02 -1.09153e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91979e+03 1.16673e+05 5.85940e+05 -4.11149e+06 9.78879e+03 Potential Pressure (bar) -3.36703e+06 -4.80736e+03 Step Time 4175 4175.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06129e+03 6.06985e+03 1.98834e+04 2.40061e+02 -1.09159e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92051e+03 1.16671e+05 5.85971e+05 -4.11155e+06 9.78895e+03 Potential Pressure (bar) -3.36703e+06 -4.80631e+03 Step Time 4176 4176.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04314e+03 6.06934e+03 1.98834e+04 2.40024e+02 -1.09154e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91955e+03 1.16673e+05 5.85976e+05 -4.11156e+06 9.78895e+03 Potential Pressure (bar) -3.36706e+06 -4.80698e+03 Step Time 4177 4177.00000 Step Time 4178 4178.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04294e+03 6.06802e+03 1.98835e+04 2.40043e+02 -1.09157e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92010e+03 1.16672e+05 5.85984e+05 -4.11158e+06 9.78894e+03 Potential Pressure (bar) -3.36707e+06 -4.80632e+03 Step Time 4179 4179.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04715e+03 6.07023e+03 1.98834e+04 2.40017e+02 -1.09154e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91940e+03 1.16673e+05 5.85993e+05 -4.11160e+06 9.78902e+03 Potential Pressure (bar) -3.36708e+06 -4.80682e+03 Step Time 4180 4180.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04787e+03 6.06844e+03 1.98835e+04 2.40047e+02 -1.09158e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92019e+03 1.16672e+05 5.86002e+05 -4.11161e+06 9.78905e+03 Potential Pressure (bar) -3.36708e+06 -4.80595e+03 Step Time 4181 4181.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05517e+03 6.07191e+03 1.98835e+04 2.40012e+02 -1.09154e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91920e+03 1.16674e+05 5.86011e+05 -4.11164e+06 9.78907e+03 Potential Pressure (bar) -3.36708e+06 -4.80674e+03 Step Time 4182 4182.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05835e+03 6.06953e+03 1.98836e+04 2.40053e+02 -1.09160e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92036e+03 1.16671e+05 5.86019e+05 -4.11165e+06 9.78912e+03 Potential Pressure (bar) -3.36709e+06 -4.80555e+03 Step Time 4183 4183.00000 Step Time 4184 4184.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03939e+03 6.06835e+03 1.98836e+04 2.40025e+02 -1.09157e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91963e+03 1.16673e+05 5.86023e+05 -4.11166e+06 9.78911e+03 Potential Pressure (bar) -3.36711e+06 -4.80600e+03 Step Time 4185 4185.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06821e+03 6.07062e+03 1.98837e+04 2.40042e+02 -1.09161e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92036e+03 1.16671e+05 5.86073e+05 -4.11176e+06 9.78930e+03 Potential Pressure (bar) -3.36713e+06 -4.80462e+03 Step Time 4186 4186.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04272e+03 6.06918e+03 1.98837e+04 2.40004e+02 -1.09158e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91933e+03 1.16673e+05 5.86077e+05 -4.11177e+06 9.78941e+03 Potential Pressure (bar) -3.36717e+06 -4.80531e+03 Step Time 4187 4187.00000 Step Time 4188 4188.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04515e+03 6.06820e+03 1.98837e+04 2.40026e+02 -1.09161e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91992e+03 1.16672e+05 5.86088e+05 -4.11179e+06 9.78936e+03 Potential Pressure (bar) -3.36718e+06 -4.80461e+03 Step Time 4189 4189.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04674e+03 6.07013e+03 1.98837e+04 2.39999e+02 -1.09159e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91918e+03 1.16673e+05 5.86095e+05 -4.11181e+06 9.78946e+03 Potential Pressure (bar) -3.36718e+06 -4.80515e+03 Step Time 4190 4190.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05148e+03 6.06882e+03 1.98838e+04 2.40030e+02 -1.09162e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.92003e+03 1.16671e+05 5.86105e+05 -4.11183e+06 9.78939e+03 Potential Pressure (bar) -3.36719e+06 -4.80419e+03 Step Time 4191 4191.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05515e+03 6.07192e+03 1.98837e+04 2.39993e+02 -1.09158e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91897e+03 1.16673e+05 5.86113e+05 -4.11185e+06 9.78953e+03 Potential Pressure (bar) -3.36720e+06 -4.80508e+03 Step Time 4192 4192.00000 Step Time 4193 4193.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03934e+03 6.06798e+03 1.98838e+04 2.40012e+02 -1.09161e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91958e+03 1.16672e+05 5.86118e+05 -4.11186e+06 9.78944e+03 Potential Pressure (bar) -3.36722e+06 -4.80433e+03 Step Time 4194 4194.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06336e+03 6.07337e+03 1.98838e+04 2.39981e+02 -1.09160e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91876e+03 1.16673e+05 5.86148e+05 -4.11193e+06 9.78968e+03 Potential Pressure (bar) -3.36723e+06 -4.80472e+03 Step Time 4195 4195.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04164e+03 6.06795e+03 1.98839e+04 2.40008e+02 -1.09163e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91964e+03 1.16672e+05 5.86154e+05 -4.11193e+06 9.78965e+03 Potential Pressure (bar) -3.36726e+06 -4.80365e+03 Step Time 4196 4196.00000 Step Time 4197 4197.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04461e+03 6.06963e+03 1.98839e+04 2.39989e+02 -1.09161e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91908e+03 1.16673e+05 5.86162e+05 -4.11195e+06 9.78972e+03 Potential Pressure (bar) -3.36726e+06 -4.80402e+03 Step Time 4198 4198.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04475e+03 6.06818e+03 1.98839e+04 2.40010e+02 -1.09164e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91971e+03 1.16671e+05 5.86171e+05 -4.11197e+06 9.78976e+03 Potential Pressure (bar) -3.36727e+06 -4.80328e+03 Step Time 4199 4199.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04986e+03 6.07075e+03 1.98839e+04 2.39980e+02 -1.09161e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91892e+03 1.16673e+05 5.86179e+05 -4.11199e+06 9.78985e+03 Potential Pressure (bar) -3.36728e+06 -4.80389e+03 Step Time 4200 4200.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05141e+03 6.06879e+03 1.98840e+04 2.40010e+02 -1.09165e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91984e+03 1.16671e+05 5.86188e+05 -4.11200e+06 9.78983e+03 Potential Pressure (bar) -3.36728e+06 -4.80289e+03 Step Time 4201 4201.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06037e+03 6.07292e+03 1.98840e+04 2.39971e+02 -1.09162e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91869e+03 1.16673e+05 5.86196e+05 -4.11203e+06 9.78988e+03 Potential Pressure (bar) -3.36728e+06 -4.80383e+03 Step Time 4202 4202.00000 Step Time 4203 4203.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03931e+03 6.06804e+03 1.98840e+04 2.39992e+02 -1.09164e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91935e+03 1.16672e+05 5.86201e+05 -4.11203e+06 9.78983e+03 Potential Pressure (bar) -3.36731e+06 -4.80302e+03 Step Time 4204 4204.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07061e+03 6.07464e+03 1.98841e+04 2.39956e+02 -1.09164e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91842e+03 1.16673e+05 5.86253e+05 -4.11214e+06 9.79027e+03 Potential Pressure (bar) -3.36733e+06 -4.80313e+03 Step Time 4205 4205.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04125e+03 6.06793e+03 1.98841e+04 2.39983e+02 -1.09167e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91937e+03 1.16671e+05 5.86259e+05 -4.11215e+06 9.79013e+03 Potential Pressure (bar) -3.36737e+06 -4.80196e+03 Step Time 4206 4206.00000 Step Time 4207 4207.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04724e+03 6.07017e+03 1.98841e+04 2.39963e+02 -1.09166e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91876e+03 1.16672e+05 5.86269e+05 -4.11217e+06 9.79023e+03 Potential Pressure (bar) -3.36737e+06 -4.80237e+03 Step Time 4208 4208.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04438e+03 6.06813e+03 1.98842e+04 2.39987e+02 -1.09169e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91945e+03 1.16671e+05 5.86277e+05 -4.11219e+06 9.79028e+03 Potential Pressure (bar) -3.36738e+06 -4.80158e+03 Step Time 4209 4209.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05389e+03 6.07157e+03 1.98842e+04 2.39954e+02 -1.09166e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91859e+03 1.16673e+05 5.86286e+05 -4.11221e+06 9.79039e+03 Potential Pressure (bar) -3.36739e+06 -4.80225e+03 Step Time 4210 4210.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05142e+03 6.06876e+03 1.98842e+04 2.39990e+02 -1.09170e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91959e+03 1.16671e+05 5.86294e+05 -4.11222e+06 9.79036e+03 Potential Pressure (bar) -3.36740e+06 -4.80118e+03 Step Time 4211 4211.00000 Step Time 4212 4212.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04020e+03 6.06853e+03 1.98842e+04 2.39967e+02 -1.09168e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91896e+03 1.16672e+05 5.86298e+05 -4.11224e+06 9.79036e+03 Potential Pressure (bar) -3.36742e+06 -4.80162e+03 Step Time 4213 4213.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05831e+03 6.06951e+03 1.98843e+04 2.39994e+02 -1.09172e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91964e+03 1.16670e+05 5.86327e+05 -4.11229e+06 9.79052e+03 Potential Pressure (bar) -3.36743e+06 -4.80057e+03 Step Time 4214 4214.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04327e+03 6.06933e+03 1.98843e+04 2.39959e+02 -1.09169e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91874e+03 1.16672e+05 5.86332e+05 -4.11231e+06 9.79054e+03 Potential Pressure (bar) -3.36745e+06 -4.80120e+03 Step Time 4215 4215.00000 Step Time 4216 4216.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04275e+03 6.06805e+03 1.98843e+04 2.39974e+02 -1.09171e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91925e+03 1.16671e+05 5.86341e+05 -4.11233e+06 9.79055e+03 Potential Pressure (bar) -3.36746e+06 -4.80060e+03 Step Time 4217 4217.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04682e+03 6.07011e+03 1.98843e+04 2.39950e+02 -1.09169e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91860e+03 1.16672e+05 5.86350e+05 -4.11235e+06 9.79063e+03 Potential Pressure (bar) -3.36747e+06 -4.80104e+03 Step Time 4218 4218.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04689e+03 6.06836e+03 1.98844e+04 2.39974e+02 -1.09173e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91934e+03 1.16670e+05 5.86359e+05 -4.11236e+06 9.79068e+03 Potential Pressure (bar) -3.36748e+06 -4.80020e+03 Step Time 4219 4219.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05384e+03 6.07159e+03 1.98844e+04 2.39942e+02 -1.09169e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91841e+03 1.16672e+05 5.86367e+05 -4.11239e+06 9.79076e+03 Potential Pressure (bar) -3.36748e+06 -4.80096e+03 Step Time 4220 4220.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05579e+03 6.06926e+03 1.98844e+04 2.39978e+02 -1.09174e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91949e+03 1.16670e+05 5.86376e+05 -4.11239e+06 9.79075e+03 Potential Pressure (bar) -3.36748e+06 -4.79982e+03 Step Time 4221 4221.00000 Step Time 4222 4222.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03997e+03 6.06842e+03 1.98844e+04 2.39952e+02 -1.09172e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91881e+03 1.16671e+05 5.86380e+05 -4.11241e+06 9.79073e+03 Potential Pressure (bar) -3.36751e+06 -4.80026e+03 Step Time 4223 4223.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06409e+03 6.07024e+03 1.98846e+04 2.39976e+02 -1.09177e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91950e+03 1.16670e+05 5.86426e+05 -4.11250e+06 9.79100e+03 Potential Pressure (bar) -3.36752e+06 -4.79896e+03 Step Time 4224 4224.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04289e+03 6.06918e+03 1.98845e+04 2.39938e+02 -1.09173e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91854e+03 1.16671e+05 5.86430e+05 -4.11251e+06 9.79102e+03 Potential Pressure (bar) -3.36756e+06 -4.79961e+03 Step Time 4225 4225.00000 Step Time 4226 4226.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04462e+03 6.06820e+03 1.98846e+04 2.39958e+02 -1.09176e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91908e+03 1.16670e+05 5.86441e+05 -4.11253e+06 9.79110e+03 Potential Pressure (bar) -3.36756e+06 -4.79893e+03 Step Time 4227 4227.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04647e+03 6.07001e+03 1.98846e+04 2.39932e+02 -1.09174e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91839e+03 1.16672e+05 5.86448e+05 -4.11255e+06 9.79118e+03 Potential Pressure (bar) -3.36757e+06 -4.79944e+03 Step Time 4228 4228.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04996e+03 6.06869e+03 1.98846e+04 2.39955e+02 -1.09177e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91918e+03 1.16670e+05 5.86458e+05 -4.11257e+06 9.79118e+03 Potential Pressure (bar) -3.36758e+06 -4.79856e+03 Step Time 4229 4229.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05386e+03 6.07158e+03 1.98846e+04 2.39922e+02 -1.09173e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91819e+03 1.16672e+05 5.86466e+05 -4.11259e+06 9.79131e+03 Potential Pressure (bar) -3.36758e+06 -4.79936e+03 Step Time 4230 4230.00000 Step Time 4231 4231.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.03981e+03 6.06805e+03 1.98846e+04 2.39938e+02 -1.09176e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91875e+03 1.16671e+05 5.86471e+05 -4.11260e+06 9.79130e+03 Potential Pressure (bar) -3.36760e+06 -4.79867e+03 Step Time 4232 4232.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06102e+03 6.07287e+03 1.98847e+04 2.39917e+02 -1.09175e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91800e+03 1.16672e+05 5.86504e+05 -4.11267e+06 9.79146e+03 Potential Pressure (bar) -3.36761e+06 -4.79892e+03 Step Time 4233 4233.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04168e+03 6.06799e+03 1.98847e+04 2.39940e+02 -1.09179e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91881e+03 1.16670e+05 5.86509e+05 -4.11267e+06 9.79141e+03 Potential Pressure (bar) -3.36764e+06 -4.79793e+03 Step Time 4234 4234.00000 Step Time 4235 4235.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04461e+03 6.06958e+03 1.98847e+04 2.39920e+02 -1.09177e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91829e+03 1.16671e+05 5.86517e+05 -4.11269e+06 9.79153e+03 Potential Pressure (bar) -3.36764e+06 -4.79829e+03 Step Time 4236 4236.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04429e+03 6.06813e+03 1.98848e+04 2.39937e+02 -1.09180e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91888e+03 1.16670e+05 5.86526e+05 -4.11270e+06 9.79159e+03 Potential Pressure (bar) -3.36765e+06 -4.79759e+03 Step Time 4237 4237.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04921e+03 6.07059e+03 1.98848e+04 2.39914e+02 -1.09177e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91813e+03 1.16671e+05 5.86535e+05 -4.11273e+06 9.79164e+03 Potential Pressure (bar) -3.36766e+06 -4.79815e+03 Step Time 4238 4238.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04993e+03 6.06864e+03 1.98848e+04 2.39941e+02 -1.09181e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91899e+03 1.16670e+05 5.86544e+05 -4.11274e+06 9.79169e+03 Potential Pressure (bar) -3.36767e+06 -4.79719e+03 Step Time 4239 4239.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05841e+03 6.07250e+03 1.98848e+04 2.39904e+02 -1.09177e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91793e+03 1.16672e+05 5.86552e+05 -4.11277e+06 9.79180e+03 Potential Pressure (bar) -3.36767e+06 -4.79808e+03 Step Time 4240 4240.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06199e+03 6.06990e+03 1.98849e+04 2.39947e+02 -1.09183e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91917e+03 1.16669e+05 5.86561e+05 -4.11278e+06 9.79178e+03 Potential Pressure (bar) -3.36767e+06 -4.79677e+03 Step Time 4241 4241.00000 Step Time 4242 4242.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04031e+03 6.06848e+03 1.98849e+04 2.39918e+02 -1.09180e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91839e+03 1.16671e+05 5.86564e+05 -4.11279e+06 9.79179e+03 Potential Pressure (bar) -3.36770e+06 -4.79727e+03 Step Time 4243 4243.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07331e+03 6.07125e+03 1.98850e+04 2.39941e+02 -1.09187e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91918e+03 1.16669e+05 5.86613e+05 -4.11289e+06 9.79209e+03 Potential Pressure (bar) -3.36772e+06 -4.79587e+03 Step Time 4244 4244.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04407e+03 6.06944e+03 1.98850e+04 2.39902e+02 -1.09182e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91807e+03 1.16671e+05 5.86617e+05 -4.11290e+06 9.79211e+03 Potential Pressure (bar) -3.36776e+06 -4.79661e+03 Step Time 4245 4245.00000 Step Time 4246 4246.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04687e+03 6.06834e+03 1.98850e+04 2.39919e+02 -1.09185e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91872e+03 1.16670e+05 5.86627e+05 -4.11292e+06 9.79212e+03 Potential Pressure (bar) -3.36776e+06 -4.79589e+03 Step Time 4247 4247.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04871e+03 6.07049e+03 1.98850e+04 2.39893e+02 -1.09182e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91792e+03 1.16671e+05 5.86634e+05 -4.11294e+06 9.79222e+03 Potential Pressure (bar) -3.36777e+06 -4.79647e+03 Step Time 4248 4248.00000 Step Time 4249 4249.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04007e+03 6.06804e+03 1.98851e+04 2.39909e+02 -1.09184e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91837e+03 1.16670e+05 5.86640e+05 -4.11295e+06 9.79223e+03 Potential Pressure (bar) -3.36779e+06 -4.79592e+03 Step Time 4250 4250.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05320e+03 6.07133e+03 1.98851e+04 2.39889e+02 -1.09184e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91776e+03 1.16671e+05 5.86667e+05 -4.11301e+06 9.79245e+03 Potential Pressure (bar) -3.36780e+06 -4.79606e+03 Step Time 4251 4251.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04139e+03 6.06797e+03 1.98851e+04 2.39906e+02 -1.09187e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91842e+03 1.16670e+05 5.86672e+05 -4.11302e+06 9.79241e+03 Potential Pressure (bar) -3.36782e+06 -4.79525e+03 Step Time 4252 4252.00000 Step Time 4253 4253.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04290e+03 6.06911e+03 1.98851e+04 2.39892e+02 -1.09185e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91799e+03 1.16671e+05 5.86680e+05 -4.11304e+06 9.79248e+03 Potential Pressure (bar) -3.36783e+06 -4.79550e+03 Step Time 4254 4254.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04312e+03 6.06805e+03 1.98852e+04 2.39907e+02 -1.09188e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91846e+03 1.16670e+05 5.86690e+05 -4.11305e+06 9.79252e+03 Potential Pressure (bar) -3.36784e+06 -4.79493e+03 Step Time 4255 4255.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04580e+03 6.06979e+03 1.98852e+04 2.39885e+02 -1.09186e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91785e+03 1.16671e+05 5.86698e+05 -4.11307e+06 9.79265e+03 Potential Pressure (bar) -3.36784e+06 -4.79536e+03 Step Time 4256 4256.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04683e+03 6.06834e+03 1.98852e+04 2.39907e+02 -1.09190e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91854e+03 1.16669e+05 5.86707e+05 -4.11308e+06 9.79263e+03 Potential Pressure (bar) -3.36785e+06 -4.79458e+03 Step Time 4257 4257.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05162e+03 6.07104e+03 1.98852e+04 2.39878e+02 -1.09186e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91768e+03 1.16671e+05 5.86715e+05 -4.11310e+06 9.79275e+03 Potential Pressure (bar) -3.36785e+06 -4.79524e+03 Step Time 4258 4258.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05472e+03 6.06909e+03 1.98853e+04 2.39911e+02 -1.09191e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91868e+03 1.16669e+05 5.86725e+05 -4.11312e+06 9.79273e+03 Potential Pressure (bar) -3.36786e+06 -4.79419e+03 Step Time 4259 4259.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06343e+03 6.07345e+03 1.98852e+04 2.39869e+02 -1.09186e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91745e+03 1.16671e+05 5.86733e+05 -4.11314e+06 9.79291e+03 Potential Pressure (bar) -3.36786e+06 -4.79519e+03 Step Time 4260 4260.00000 Step Time 4261 4261.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04019e+03 6.06806e+03 1.98853e+04 2.39889e+02 -1.09189e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91815e+03 1.16670e+05 5.86737e+05 -4.11315e+06 9.79285e+03 Potential Pressure (bar) -3.36789e+06 -4.79433e+03 Step Time 4262 4262.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07492e+03 6.07545e+03 1.98853e+04 2.39863e+02 -1.09188e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91717e+03 1.16671e+05 5.86782e+05 -4.11324e+06 9.79324e+03 Potential Pressure (bar) -3.36790e+06 -4.79461e+03 Step Time 4263 4263.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04262e+03 6.06800e+03 1.98854e+04 2.39891e+02 -1.09193e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91821e+03 1.16669e+05 5.86788e+05 -4.11325e+06 9.79315e+03 Potential Pressure (bar) -3.36794e+06 -4.79337e+03 Step Time 4264 4264.00000 Step Time 4265 4265.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04865e+03 6.07036e+03 1.98854e+04 2.39865e+02 -1.09191e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91756e+03 1.16670e+05 5.86797e+05 -4.11327e+06 9.79331e+03 Potential Pressure (bar) -3.36794e+06 -4.79380e+03 Step Time 4266 4266.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04636e+03 6.06827e+03 1.98854e+04 2.39891e+02 -1.09194e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91830e+03 1.16669e+05 5.86805e+05 -4.11329e+06 9.79334e+03 Potential Pressure (bar) -3.36795e+06 -4.79297e+03 Step Time 4267 4267.00000 Step Time 4268 4268.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04074e+03 6.06846e+03 1.98854e+04 2.39874e+02 -1.09193e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91784e+03 1.16670e+05 5.86810e+05 -4.11330e+06 9.79337e+03 Potential Pressure (bar) -3.36796e+06 -4.79328e+03 Step Time 4269 4269.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05008e+03 6.06860e+03 1.98855e+04 2.39887e+02 -1.09197e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91833e+03 1.16669e+05 5.86838e+05 -4.11335e+06 9.79351e+03 Potential Pressure (bar) -3.36798e+06 -4.79243e+03 Step Time 4270 4270.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04259e+03 6.06899e+03 1.98855e+04 2.39864e+02 -1.09194e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91765e+03 1.16670e+05 5.86843e+05 -4.11337e+06 9.79354e+03 Potential Pressure (bar) -3.36800e+06 -4.79288e+03 Step Time 4271 4271.00000 Step Time 4272 4272.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04185e+03 6.06796e+03 1.98855e+04 2.39877e+02 -1.09196e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91803e+03 1.16669e+05 5.86851e+05 -4.11338e+06 9.79358e+03 Potential Pressure (bar) -3.36801e+06 -4.79239e+03 Step Time 4273 4273.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04466e+03 6.06949e+03 1.98855e+04 2.39857e+02 -1.09194e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91754e+03 1.16670e+05 5.86860e+05 -4.11340e+06 9.79364e+03 Potential Pressure (bar) -3.36801e+06 -4.79265e+03 Step Time 4274 4274.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04403e+03 6.06806e+03 1.98856e+04 2.39878e+02 -1.09198e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91809e+03 1.16669e+05 5.86869e+05 -4.11342e+06 9.79373e+03 Potential Pressure (bar) -3.36802e+06 -4.79202e+03 Step Time 4275 4275.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04868e+03 6.07041e+03 1.98855e+04 2.39854e+02 -1.09195e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91740e+03 1.16670e+05 5.86877e+05 -4.11344e+06 9.79381e+03 Potential Pressure (bar) -3.36803e+06 -4.79251e+03 Step Time 4276 4276.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04879e+03 6.06845e+03 1.98856e+04 2.39878e+02 -1.09199e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91819e+03 1.16669e+05 5.86886e+05 -4.11345e+06 9.79385e+03 Potential Pressure (bar) -3.36804e+06 -4.79163e+03 Step Time 4277 4277.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05672e+03 6.07209e+03 1.98856e+04 2.39844e+02 -1.09195e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91721e+03 1.16670e+05 5.86895e+05 -4.11348e+06 9.79393e+03 Potential Pressure (bar) -3.36804e+06 -4.79244e+03 Step Time 4278 4278.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05902e+03 6.06947e+03 1.98857e+04 2.39881e+02 -1.09201e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91836e+03 1.16668e+05 5.86904e+05 -4.11349e+06 9.79399e+03 Potential Pressure (bar) -3.36804e+06 -4.79124e+03 Step Time 4279 4279.00000 Step Time 4280 4280.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04082e+03 6.06846e+03 1.98856e+04 2.39854e+02 -1.09198e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91763e+03 1.16670e+05 5.86908e+05 -4.11350e+06 9.79403e+03 Potential Pressure (bar) -3.36807e+06 -4.79169e+03 Step Time 4281 4281.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06863e+03 6.07062e+03 1.98858e+04 2.39874e+02 -1.09203e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91836e+03 1.16668e+05 5.86953e+05 -4.11359e+06 9.79434e+03 Potential Pressure (bar) -3.36808e+06 -4.79035e+03 Step Time 4282 4282.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04413e+03 6.06935e+03 1.98857e+04 2.39838e+02 -1.09200e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91734e+03 1.16670e+05 5.86957e+05 -4.11361e+06 9.79441e+03 Potential Pressure (bar) -3.36812e+06 -4.79102e+03 Step Time 4283 4283.00000 Step Time 4284 4284.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04621e+03 6.06820e+03 1.98858e+04 2.39857e+02 -1.09203e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91794e+03 1.16669e+05 5.86967e+05 -4.11362e+06 9.79445e+03 Potential Pressure (bar) -3.36813e+06 -4.79033e+03 Step Time 4285 4285.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04822e+03 6.07028e+03 1.98858e+04 2.39832e+02 -1.09201e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91720e+03 1.16670e+05 5.86975e+05 -4.11364e+06 9.79447e+03 Potential Pressure (bar) -3.36814e+06 -4.79091e+03 Step Time 4286 4286.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05238e+03 6.06875e+03 1.98858e+04 2.39860e+02 -1.09205e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91805e+03 1.16668e+05 5.86985e+05 -4.11366e+06 9.79453e+03 Potential Pressure (bar) -3.36814e+06 -4.78994e+03 Step Time 4287 4287.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05665e+03 6.07207e+03 1.98858e+04 2.39824e+02 -1.09201e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91699e+03 1.16670e+05 5.86992e+05 -4.11368e+06 9.79467e+03 Potential Pressure (bar) -3.36814e+06 -4.79083e+03 Step Time 4288 4288.00000 Step Time 4289 4289.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04066e+03 6.06803e+03 1.98858e+04 2.39844e+02 -1.09204e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91759e+03 1.16669e+05 5.86997e+05 -4.11369e+06 9.79461e+03 Potential Pressure (bar) -3.36816e+06 -4.79008e+03 Step Time 4290 4290.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06481e+03 6.07351e+03 1.98859e+04 2.39813e+02 -1.09201e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91679e+03 1.16670e+05 5.87030e+05 -4.11376e+06 9.79489e+03 Potential Pressure (bar) -3.36818e+06 -4.79040e+03 Step Time 4291 4291.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04279e+03 6.06797e+03 1.98859e+04 2.39840e+02 -1.09206e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91767e+03 1.16669e+05 5.87036e+05 -4.11376e+06 9.79487e+03 Potential Pressure (bar) -3.36820e+06 -4.78932e+03 Step Time 4292 4292.00000 Step Time 4293 4293.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04608e+03 6.06975e+03 1.98859e+04 2.39821e+02 -1.09205e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91711e+03 1.16670e+05 5.87044e+05 -4.11378e+06 9.79495e+03 Potential Pressure (bar) -3.36821e+06 -4.78967e+03 Step Time 4294 4294.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04580e+03 6.06815e+03 1.98860e+04 2.39842e+02 -1.09208e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91774e+03 1.16668e+05 5.87053e+05 -4.11380e+06 9.79505e+03 Potential Pressure (bar) -3.36822e+06 -4.78896e+03 Step Time 4295 4295.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05134e+03 6.07088e+03 1.98859e+04 2.39814e+02 -1.09205e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91695e+03 1.16670e+05 5.87061e+05 -4.11382e+06 9.79516e+03 Potential Pressure (bar) -3.36822e+06 -4.78957e+03 Step Time 4296 4296.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05231e+03 6.06872e+03 1.98860e+04 2.39844e+02 -1.09210e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91786e+03 1.16668e+05 5.87070e+05 -4.11383e+06 9.79521e+03 Potential Pressure (bar) -3.36823e+06 -4.78858e+03 Step Time 4297 4297.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06185e+03 6.07307e+03 1.98860e+04 2.39805e+02 -1.09206e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91673e+03 1.16670e+05 5.87078e+05 -4.11386e+06 9.79532e+03 Potential Pressure (bar) -3.36823e+06 -4.78952e+03 Step Time 4298 4298.00000 Step Time 4299 4299.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04061e+03 6.06808e+03 1.98860e+04 2.39824e+02 -1.09209e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91738e+03 1.16669e+05 5.87083e+05 -4.11386e+06 9.79527e+03 Potential Pressure (bar) -3.36826e+06 -4.78869e+03 Step Time 4300 4300.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07225e+03 6.07459e+03 1.98861e+04 2.39791e+02 -1.09209e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91644e+03 1.16670e+05 5.87142e+05 -4.11398e+06 9.79575e+03 Potential Pressure (bar) -3.36828e+06 -4.78864e+03 Step Time 4301 4301.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04244e+03 6.06795e+03 1.98861e+04 2.39825e+02 -1.09214e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91739e+03 1.16668e+05 5.87147e+05 -4.11399e+06 9.79577e+03 Potential Pressure (bar) -3.36831e+06 -4.78754e+03 Step Time 4302 4302.00000 Step Time 4303 4303.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04875e+03 6.07020e+03 1.98861e+04 2.39798e+02 -1.09212e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91681e+03 1.16669e+05 5.87157e+05 -4.11401e+06 9.79584e+03 Potential Pressure (bar) -3.36832e+06 -4.78793e+03 Step Time 4304 4304.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04545e+03 6.06813e+03 1.98862e+04 2.39821e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91749e+03 1.16668e+05 5.87164e+05 -4.11402e+06 9.79591e+03 Potential Pressure (bar) -3.36833e+06 -4.78715e+03 Step Time 4305 4305.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05539e+03 6.07161e+03 1.98862e+04 2.39788e+02 -1.09212e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91663e+03 1.16669e+05 5.87174e+05 -4.11405e+06 9.79603e+03 Potential Pressure (bar) -3.36833e+06 -4.78779e+03 Step Time 4306 4306.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05229e+03 6.06875e+03 1.98862e+04 2.39826e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91762e+03 1.16668e+05 5.87183e+05 -4.11406e+06 9.79609e+03 Potential Pressure (bar) -3.36834e+06 -4.78676e+03 Step Time 4307 4307.00000 Step Time 4308 4308.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04162e+03 6.06855e+03 1.98862e+04 2.39800e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91700e+03 1.16669e+05 5.87187e+05 -4.11407e+06 9.79607e+03 Potential Pressure (bar) -3.36836e+06 -4.78714e+03 Step Time 4309 4309.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05899e+03 6.06945e+03 1.98863e+04 2.39826e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91768e+03 1.16667e+05 5.87214e+05 -4.11412e+06 9.79635e+03 Potential Pressure (bar) -3.36837e+06 -4.78615e+03 Step Time 4310 4310.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04474e+03 6.06935e+03 1.98863e+04 2.39792e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91679e+03 1.16669e+05 5.87219e+05 -4.11414e+06 9.79636e+03 Potential Pressure (bar) -3.36839e+06 -4.78675e+03 Step Time 4311 4311.00000 Step Time 4312 4312.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04387e+03 6.06801e+03 1.98863e+04 2.39811e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91729e+03 1.16668e+05 5.87227e+05 -4.11416e+06 9.79638e+03 Potential Pressure (bar) -3.36840e+06 -4.78615e+03 Step Time 4313 4313.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04830e+03 6.07015e+03 1.98863e+04 2.39786e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91665e+03 1.16669e+05 5.87236e+05 -4.11418e+06 9.79651e+03 Potential Pressure (bar) -3.36841e+06 -4.78661e+03 Step Time 4314 4314.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04789e+03 6.06831e+03 1.98864e+04 2.39811e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91738e+03 1.16668e+05 5.87245e+05 -4.11419e+06 9.79653e+03 Potential Pressure (bar) -3.36842e+06 -4.78579e+03 Step Time 4315 4315.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05534e+03 6.07163e+03 1.98863e+04 2.39777e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91647e+03 1.16669e+05 5.87253e+05 -4.11422e+06 9.79667e+03 Potential Pressure (bar) -3.36842e+06 -4.78651e+03 Step Time 4316 4316.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05657e+03 6.06915e+03 1.98864e+04 2.39814e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91753e+03 1.16667e+05 5.87262e+05 -4.11423e+06 9.79672e+03 Potential Pressure (bar) -3.36842e+06 -4.78537e+03 Step Time 4317 4317.00000 Step Time 4318 4318.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04135e+03 6.06840e+03 1.98864e+04 2.39788e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91686e+03 1.16668e+05 5.87266e+05 -4.11424e+06 9.79676e+03 Potential Pressure (bar) -3.36845e+06 -4.78581e+03 Step Time 4319 4319.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06474e+03 6.07010e+03 1.98865e+04 2.39813e+02 -1.09227e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91756e+03 1.16667e+05 5.87308e+05 -4.11432e+06 9.79712e+03 Potential Pressure (bar) -3.36846e+06 -4.78460e+03 Step Time 4320 4320.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04430e+03 6.06919e+03 1.98865e+04 2.39778e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91661e+03 1.16669e+05 5.87312e+05 -4.11434e+06 9.79711e+03 Potential Pressure (bar) -3.36849e+06 -4.78520e+03 Step Time 4321 4321.00000 Step Time 4322 4322.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04571e+03 6.06810e+03 1.98865e+04 2.39793e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91715e+03 1.16667e+05 5.87322e+05 -4.11435e+06 9.79718e+03 Potential Pressure (bar) -3.36850e+06 -4.78455e+03 Step Time 4323 4323.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04792e+03 6.07002e+03 1.98865e+04 2.39767e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91646e+03 1.16669e+05 5.87330e+05 -4.11437e+06 9.79730e+03 Potential Pressure (bar) -3.36850e+06 -4.78508e+03 Step Time 4324 4324.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05090e+03 6.06858e+03 1.98865e+04 2.39795e+02 -1.09227e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91725e+03 1.16667e+05 5.87340e+05 -4.11438e+06 9.79730e+03 Potential Pressure (bar) -3.36851e+06 -4.78416e+03 Step Time 4325 4325.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05531e+03 6.07158e+03 1.98865e+04 2.39761e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91627e+03 1.16669e+05 5.87348e+05 -4.11441e+06 9.79737e+03 Potential Pressure (bar) -3.36852e+06 -4.78496e+03 Step Time 4326 4326.00000 Step Time 4327 4327.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04110e+03 6.06799e+03 1.98866e+04 2.39779e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91683e+03 1.16668e+05 5.87352e+05 -4.11441e+06 9.79740e+03 Potential Pressure (bar) -3.36854e+06 -4.78425e+03 Step Time 4328 4328.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06247e+03 6.07284e+03 1.98866e+04 2.39750e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91606e+03 1.16669e+05 5.87387e+05 -4.11449e+06 9.79778e+03 Potential Pressure (bar) -3.36855e+06 -4.78444e+03 Step Time 4329 4329.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04287e+03 6.06792e+03 1.98866e+04 2.39773e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91688e+03 1.16667e+05 5.87393e+05 -4.11450e+06 9.79774e+03 Potential Pressure (bar) -3.36858e+06 -4.78346e+03 Step Time 4330 4330.00000 Step Time 4331 4331.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04607e+03 6.06954e+03 1.98866e+04 2.39756e+02 -1.09228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91636e+03 1.16668e+05 5.87402e+05 -4.11452e+06 9.79786e+03 Potential Pressure (bar) -3.36859e+06 -4.78382e+03 Step Time 4332 4332.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04539e+03 6.06805e+03 1.98867e+04 2.39777e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91695e+03 1.16667e+05 5.87410e+05 -4.11453e+06 9.79791e+03 Potential Pressure (bar) -3.36859e+06 -4.78311e+03 Step Time 4333 4333.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05069e+03 6.07054e+03 1.98867e+04 2.39751e+02 -1.09228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91620e+03 1.16669e+05 5.87418e+05 -4.11455e+06 9.79797e+03 Potential Pressure (bar) -3.36860e+06 -4.78366e+03 Step Time 4334 4334.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05087e+03 6.06851e+03 1.98867e+04 2.39778e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91706e+03 1.16667e+05 5.87427e+05 -4.11457e+06 9.79803e+03 Potential Pressure (bar) -3.36860e+06 -4.78273e+03 Step Time 4335 4335.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05987e+03 6.07245e+03 1.98867e+04 2.39740e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91601e+03 1.16669e+05 5.87435e+05 -4.11459e+06 9.79811e+03 Potential Pressure (bar) -3.36860e+06 -4.78361e+03 Step Time 4336 4336.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06267e+03 6.06972e+03 1.98868e+04 2.39784e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91725e+03 1.16666e+05 5.87445e+05 -4.11460e+06 9.79818e+03 Potential Pressure (bar) -3.36861e+06 -4.78234e+03 Step Time 4337 4337.00000 Step Time 4338 4338.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04168e+03 6.06841e+03 1.98868e+04 2.39752e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91647e+03 1.16668e+05 5.87448e+05 -4.11461e+06 9.79827e+03 Potential Pressure (bar) -3.36864e+06 -4.78281e+03 Step Time 4339 4339.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07374e+03 6.07108e+03 1.98869e+04 2.39785e+02 -1.09240e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91727e+03 1.16666e+05 5.87493e+05 -4.11470e+06 9.79865e+03 Potential Pressure (bar) -3.36865e+06 -4.78147e+03 Step Time 4340 4340.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04548e+03 6.06935e+03 1.98868e+04 2.39740e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91618e+03 1.16668e+05 5.87498e+05 -4.11472e+06 9.79864e+03 Potential Pressure (bar) -3.36869e+06 -4.78222e+03 Step Time 4341 4341.00000 Step Time 4342 4342.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04788e+03 6.06826e+03 1.98869e+04 2.39759e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91681e+03 1.16667e+05 5.87508e+05 -4.11473e+06 9.79875e+03 Potential Pressure (bar) -3.36869e+06 -4.78146e+03 Step Time 4343 4343.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05014e+03 6.07040e+03 1.98869e+04 2.39730e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91603e+03 1.16668e+05 5.87515e+05 -4.11475e+06 9.79885e+03 Potential Pressure (bar) -3.36870e+06 -4.78205e+03 Step Time 4344 4344.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05498e+03 6.06893e+03 1.98869e+04 2.39762e+02 -1.09240e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91694e+03 1.16666e+05 5.87525e+05 -4.11477e+06 9.79894e+03 Potential Pressure (bar) -3.36870e+06 -4.78107e+03 Step Time 4345 4345.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05980e+03 6.07240e+03 1.98869e+04 2.39722e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91581e+03 1.16668e+05 5.87532e+05 -4.11479e+06 9.79900e+03 Potential Pressure (bar) -3.36871e+06 -4.78201e+03 Step Time 4346 4346.00000 Step Time 4347 4347.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04148e+03 6.06794e+03 1.98869e+04 2.39744e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91646e+03 1.16667e+05 5.87537e+05 -4.11480e+06 9.79899e+03 Potential Pressure (bar) -3.36873e+06 -4.78120e+03 Step Time 4348 4348.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06911e+03 6.07407e+03 1.98870e+04 2.39706e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91559e+03 1.16669e+05 5.87570e+05 -4.11487e+06 9.79935e+03 Potential Pressure (bar) -3.36874e+06 -4.78157e+03 Step Time 4349 4349.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04395e+03 6.06792e+03 1.98870e+04 2.39738e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91653e+03 1.16667e+05 5.87575e+05 -4.11487e+06 9.79939e+03 Potential Pressure (bar) -3.36877e+06 -4.78042e+03 Step Time 4350 4350.00000 Step Time 4351 4351.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04767e+03 6.06981e+03 1.98870e+04 2.39717e+02 -1.09241e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91594e+03 1.16668e+05 5.87584e+05 -4.11489e+06 9.79943e+03 Potential Pressure (bar) -3.36877e+06 -4.78082e+03 Step Time 4352 4352.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04741e+03 6.06818e+03 1.98870e+04 2.39742e+02 -1.09244e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91661e+03 1.16666e+05 5.87593e+05 -4.11491e+06 9.79950e+03 Potential Pressure (bar) -3.36878e+06 -4.78006e+03 Step Time 4353 4353.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05369e+03 6.07108e+03 1.98870e+04 2.39712e+02 -1.09241e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91577e+03 1.16668e+05 5.87601e+05 -4.11493e+06 9.79959e+03 Potential Pressure (bar) -3.36879e+06 -4.78071e+03 Step Time 4354 4354.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05488e+03 6.06889e+03 1.98871e+04 2.39745e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91675e+03 1.16666e+05 5.87610e+05 -4.11494e+06 9.79970e+03 Potential Pressure (bar) -3.36879e+06 -4.77964e+03 Step Time 4355 4355.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06573e+03 6.07353e+03 1.98871e+04 2.39702e+02 -1.09242e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91554e+03 1.16668e+05 5.87618e+05 -4.11497e+06 9.79979e+03 Potential Pressure (bar) -3.36879e+06 -4.78067e+03 Step Time 4356 4356.00000 Step Time 4357 4357.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04141e+03 6.06801e+03 1.98871e+04 2.39725e+02 -1.09245e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91623e+03 1.16667e+05 5.87623e+05 -4.11498e+06 9.79980e+03 Potential Pressure (bar) -3.36883e+06 -4.77980e+03 Step Time 4358 4358.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07764e+03 6.07531e+03 1.98872e+04 2.39682e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91524e+03 1.16668e+05 5.87682e+05 -4.11510e+06 9.80042e+03 Potential Pressure (bar) -3.36885e+06 -4.77984e+03 Step Time 4359 4359.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04351e+03 6.06788e+03 1.98872e+04 2.39717e+02 -1.09251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91625e+03 1.16666e+05 5.87687e+05 -4.11511e+06 9.80036e+03 Potential Pressure (bar) -3.36889e+06 -4.77866e+03 Step Time 4360 4360.00000 Step Time 4361 4361.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05069e+03 6.07036e+03 1.98872e+04 2.39695e+02 -1.09249e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91563e+03 1.16668e+05 5.87698e+05 -4.11513e+06 9.80050e+03 Potential Pressure (bar) -3.36889e+06 -4.77905e+03 Step Time 4362 4362.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04699e+03 6.06812e+03 1.98873e+04 2.39719e+02 -1.09253e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91636e+03 1.16666e+05 5.87705e+05 -4.11514e+06 9.80053e+03 Potential Pressure (bar) -3.36890e+06 -4.77824e+03 Step Time 4363 4363.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05829e+03 6.07193e+03 1.98873e+04 2.39685e+02 -1.09249e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91544e+03 1.16668e+05 5.87714e+05 -4.11517e+06 9.80065e+03 Potential Pressure (bar) -3.36890e+06 -4.77893e+03 Step Time 4364 4364.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05487e+03 6.06887e+03 1.98873e+04 2.39723e+02 -1.09254e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91650e+03 1.16666e+05 5.87723e+05 -4.11518e+06 9.80076e+03 Potential Pressure (bar) -3.36891e+06 -4.77784e+03 Step Time 4365 4365.00000 Step Time 4366 4366.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04253e+03 6.06851e+03 1.98873e+04 2.39699e+02 -1.09252e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91583e+03 1.16667e+05 5.87727e+05 -4.11519e+06 9.80075e+03 Potential Pressure (bar) -3.36893e+06 -4.77824e+03 Step Time 4367 4367.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06260e+03 6.06968e+03 1.98874e+04 2.39728e+02 -1.09257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91657e+03 1.16665e+05 5.87755e+05 -4.11524e+06 9.80105e+03 Potential Pressure (bar) -3.36894e+06 -4.77724e+03 Step Time 4368 4368.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04608e+03 6.06941e+03 1.98874e+04 2.39688e+02 -1.09254e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91561e+03 1.16667e+05 5.87760e+05 -4.11526e+06 9.80103e+03 Potential Pressure (bar) -3.36897e+06 -4.77788e+03 Step Time 4369 4369.00000 Step Time 4370 4370.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04517e+03 6.06797e+03 1.98874e+04 2.39706e+02 -1.09257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91616e+03 1.16666e+05 5.87768e+05 -4.11527e+06 9.80109e+03 Potential Pressure (bar) -3.36898e+06 -4.77722e+03 Step Time 4371 4371.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05015e+03 6.07030e+03 1.98874e+04 2.39678e+02 -1.09255e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91547e+03 1.16667e+05 5.87777e+05 -4.11530e+06 9.80127e+03 Potential Pressure (bar) -3.36898e+06 -4.77771e+03 Step Time 4372 4372.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04979e+03 6.06834e+03 1.98874e+04 2.39709e+02 -1.09258e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91626e+03 1.16666e+05 5.87785e+05 -4.11531e+06 9.80131e+03 Potential Pressure (bar) -3.36899e+06 -4.77687e+03 Step Time 4373 4373.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05819e+03 6.07198e+03 1.98874e+04 2.39673e+02 -1.09255e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91528e+03 1.16667e+05 5.87794e+05 -4.11533e+06 9.80144e+03 Potential Pressure (bar) -3.36899e+06 -4.77764e+03 Step Time 4374 4374.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05981e+03 6.06934e+03 1.98875e+04 2.39714e+02 -1.09260e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91642e+03 1.16665e+05 5.87803e+05 -4.11534e+06 9.80149e+03 Potential Pressure (bar) -3.36899e+06 -4.77646e+03 Step Time 4375 4375.00000 Step Time 4376 4376.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04219e+03 6.06836e+03 1.98875e+04 2.39689e+02 -1.09258e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91570e+03 1.16666e+05 5.87806e+05 -4.11536e+06 9.80147e+03 Potential Pressure (bar) -3.36902e+06 -4.77689e+03 Step Time 4377 4377.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06924e+03 6.07047e+03 1.98876e+04 2.39699e+02 -1.09264e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91645e+03 1.16665e+05 5.87849e+05 -4.11543e+06 9.80190e+03 Potential Pressure (bar) -3.36902e+06 -4.77565e+03 Step Time 4378 4378.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04557e+03 6.06924e+03 1.98875e+04 2.39666e+02 -1.09261e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91543e+03 1.16667e+05 5.87853e+05 -4.11545e+06 9.80194e+03 Potential Pressure (bar) -3.36906e+06 -4.77634e+03 Step Time 4379 4379.00000 Step Time 4380 4380.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04727e+03 6.06811e+03 1.98876e+04 2.39686e+02 -1.09264e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91602e+03 1.16666e+05 5.87862e+05 -4.11546e+06 9.80202e+03 Potential Pressure (bar) -3.36907e+06 -4.77567e+03 Step Time 4381 4381.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04968e+03 6.07015e+03 1.98876e+04 2.39662e+02 -1.09262e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91528e+03 1.16667e+05 5.87870e+05 -4.11548e+06 9.80209e+03 Potential Pressure (bar) -3.36908e+06 -4.77619e+03 Step Time 4382 4382.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05326e+03 6.06867e+03 1.98876e+04 2.39688e+02 -1.09265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91613e+03 1.16665e+05 5.87879e+05 -4.11550e+06 9.80221e+03 Potential Pressure (bar) -3.36908e+06 -4.77526e+03 Step Time 4383 4383.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05814e+03 6.07192e+03 1.98876e+04 2.39650e+02 -1.09262e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91508e+03 1.16667e+05 5.87887e+05 -4.11552e+06 9.80236e+03 Potential Pressure (bar) -3.36909e+06 -4.77612e+03 Step Time 4384 4384.00000 Step Time 4385 4385.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04193e+03 6.06793e+03 1.98876e+04 2.39669e+02 -1.09265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91568e+03 1.16666e+05 5.87891e+05 -4.11553e+06 9.80235e+03 Potential Pressure (bar) -3.36911e+06 -4.77537e+03 Step Time 4386 4386.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06631e+03 6.07332e+03 1.98877e+04 2.39650e+02 -1.09265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91486e+03 1.16667e+05 5.87926e+05 -4.11560e+06 9.80271e+03 Potential Pressure (bar) -3.36912e+06 -4.77561e+03 Step Time 4387 4387.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04397e+03 6.06788e+03 1.98877e+04 2.39671e+02 -1.09269e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91575e+03 1.16666e+05 5.87932e+05 -4.11561e+06 9.80272e+03 Potential Pressure (bar) -3.36915e+06 -4.77460e+03 Step Time 4388 4388.00000 Step Time 4389 4389.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04754e+03 6.06961e+03 1.98877e+04 2.39649e+02 -1.09267e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91520e+03 1.16667e+05 5.87940e+05 -4.11563e+06 9.80279e+03 Potential Pressure (bar) -3.36915e+06 -4.77492e+03 Step Time 4390 4390.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04688e+03 6.06805e+03 1.98877e+04 2.39670e+02 -1.09270e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91582e+03 1.16665e+05 5.87949e+05 -4.11564e+06 9.80289e+03 Potential Pressure (bar) -3.36916e+06 -4.77424e+03 Step Time 4391 4391.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05283e+03 6.07075e+03 1.98877e+04 2.39639e+02 -1.09268e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91503e+03 1.16667e+05 5.87957e+05 -4.11567e+06 9.80299e+03 Potential Pressure (bar) -3.36917e+06 -4.77481e+03 Step Time 4392 4392.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05319e+03 6.06862e+03 1.98878e+04 2.39672e+02 -1.09272e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91594e+03 1.16665e+05 5.87966e+05 -4.11568e+06 9.80309e+03 Potential Pressure (bar) -3.36917e+06 -4.77384e+03 Step Time 4393 4393.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06334e+03 6.07291e+03 1.98878e+04 2.39630e+02 -1.09268e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91481e+03 1.16667e+05 5.87975e+05 -4.11570e+06 9.80320e+03 Potential Pressure (bar) -3.36917e+06 -4.77477e+03 Step Time 4394 4394.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06679e+03 6.07006e+03 1.98878e+04 2.39681e+02 -1.09275e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91615e+03 1.16664e+05 5.87984e+05 -4.11571e+06 9.80331e+03 Potential Pressure (bar) -3.36918e+06 -4.77346e+03 Step Time 4395 4395.00000 Step Time 4396 4396.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04253e+03 6.06839e+03 1.98878e+04 2.39648e+02 -1.09271e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91531e+03 1.16666e+05 5.87987e+05 -4.11573e+06 9.80331e+03 Potential Pressure (bar) -3.36921e+06 -4.77394e+03 Step Time 4397 4397.00000 Step Time 4398 4398.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04901e+03 6.06822e+03 1.98879e+04 2.39658e+02 -1.09275e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91574e+03 1.16665e+05 5.88010e+05 -4.11577e+06 9.80347e+03 Potential Pressure (bar) -3.36922e+06 -4.77315e+03 Step Time 4399 4399.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04421e+03 6.06882e+03 1.98879e+04 2.39638e+02 -1.09273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91514e+03 1.16666e+05 5.88015e+05 -4.11578e+06 9.80351e+03 Potential Pressure (bar) -3.36923e+06 -4.77357e+03 Step Time 4400 4400.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05414e+03 6.06871e+03 1.98879e+04 2.39657e+02 -1.09277e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91582e+03 1.16665e+05 5.88030e+05 -4.11581e+06 9.80368e+03 Potential Pressure (bar) -3.36924e+06 -4.77277e+03 Step Time 4401 4401.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04821e+03 6.06978e+03 1.98879e+04 2.39628e+02 -1.09274e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91497e+03 1.16666e+05 5.88036e+05 -4.11583e+06 9.80380e+03 Potential Pressure (bar) -3.36925e+06 -4.77339e+03 Step Time 4402 4402.00000 Step Time 4403 4403.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04316e+03 6.06784e+03 1.98879e+04 2.39641e+02 -1.09276e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91545e+03 1.16665e+05 5.88042e+05 -4.11584e+06 9.80380e+03 Potential Pressure (bar) -3.36927e+06 -4.77281e+03 Step Time 4404 4404.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05232e+03 6.07064e+03 1.98879e+04 2.39620e+02 -1.09275e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91483e+03 1.16666e+05 5.88055e+05 -4.11587e+06 9.80397e+03 Potential Pressure (bar) -3.36927e+06 -4.77319e+03 Step Time 4405 4405.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04578e+03 6.06795e+03 1.98879e+04 2.39642e+02 -1.09278e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91553e+03 1.16665e+05 5.88062e+05 -4.11588e+06 9.80400e+03 Potential Pressure (bar) -3.36928e+06 -4.77240e+03 Step Time 4406 4406.00000 Step Time 4407 4407.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04335e+03 6.06855e+03 1.98879e+04 2.39625e+02 -1.09277e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91508e+03 1.16666e+05 5.88068e+05 -4.11589e+06 9.80407e+03 Potential Pressure (bar) -3.36929e+06 -4.77266e+03 Step Time 4408 4408.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04860e+03 6.06816e+03 1.98880e+04 2.39640e+02 -1.09280e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91557e+03 1.16665e+05 5.88083e+05 -4.11592e+06 9.80417e+03 Potential Pressure (bar) -3.36930e+06 -4.77200e+03 Step Time 4409 4409.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04566e+03 6.06913e+03 1.98880e+04 2.39617e+02 -1.09278e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91494e+03 1.16666e+05 5.88089e+05 -4.11594e+06 9.80429e+03 Potential Pressure (bar) -3.36931e+06 -4.77246e+03 Step Time 4410 4410.00000 Step Time 4411 4411.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04265e+03 6.06783e+03 1.98880e+04 2.39629e+02 -1.09280e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91529e+03 1.16665e+05 5.88095e+05 -4.11595e+06 9.80433e+03 Potential Pressure (bar) -3.36932e+06 -4.77200e+03 Step Time 4412 4412.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04801e+03 6.06965e+03 1.98880e+04 2.39611e+02 -1.09279e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91483e+03 1.16666e+05 5.88107e+05 -4.11597e+06 9.80449e+03 Potential Pressure (bar) -3.36933e+06 -4.77221e+03 Step Time 4413 4413.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04408e+03 6.06783e+03 1.98881e+04 2.39628e+02 -1.09282e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91535e+03 1.16665e+05 5.88114e+05 -4.11598e+06 9.80453e+03 Potential Pressure (bar) -3.36934e+06 -4.77162e+03 Step Time 4414 4414.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05236e+03 6.07058e+03 1.98881e+04 2.39604e+02 -1.09280e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91469e+03 1.16666e+05 5.88125e+05 -4.11601e+06 9.80469e+03 Potential Pressure (bar) -3.36934e+06 -4.77209e+03 Step Time 4415 4415.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04758e+03 6.06807e+03 1.98881e+04 2.39629e+02 -1.09283e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91545e+03 1.16665e+05 5.88133e+05 -4.11602e+06 9.80476e+03 Potential Pressure (bar) -3.36935e+06 -4.77121e+03 Step Time 4416 4416.00000 Step Time 4417 4417.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04310e+03 6.06843e+03 1.98881e+04 2.39612e+02 -1.09282e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91496e+03 1.16665e+05 5.88138e+05 -4.11603e+06 9.80478e+03 Potential Pressure (bar) -3.36936e+06 -4.77151e+03 Step Time 4418 4418.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05116e+03 6.06840e+03 1.98882e+04 2.39627e+02 -1.09286e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91549e+03 1.16664e+05 5.88157e+05 -4.11607e+06 9.80497e+03 Potential Pressure (bar) -3.36937e+06 -4.77075e+03 Step Time 4419 4419.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04538e+03 6.06901e+03 1.98881e+04 2.39602e+02 -1.09283e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91480e+03 1.16666e+05 5.88163e+05 -4.11608e+06 9.80505e+03 Potential Pressure (bar) -3.36938e+06 -4.77120e+03 Step Time 4420 4420.00000 Step Time 4421 4421.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04333e+03 6.06782e+03 1.98882e+04 2.39617e+02 -1.09286e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91518e+03 1.16665e+05 5.88170e+05 -4.11609e+06 9.80508e+03 Potential Pressure (bar) -3.36939e+06 -4.77072e+03 Step Time 4422 4422.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04781e+03 6.06956e+03 1.98882e+04 2.39596e+02 -1.09284e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91468e+03 1.16666e+05 5.88180e+05 -4.11612e+06 9.80522e+03 Potential Pressure (bar) -3.36940e+06 -4.77099e+03 Step Time 4423 4423.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04532e+03 6.06790e+03 1.98882e+04 2.39614e+02 -1.09287e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91524e+03 1.16665e+05 5.88188e+05 -4.11613e+06 9.80527e+03 Potential Pressure (bar) -3.36941e+06 -4.77033e+03 Step Time 4424 4424.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05240e+03 6.07053e+03 1.98882e+04 2.39587e+02 -1.09285e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91453e+03 1.16666e+05 5.88197e+05 -4.11616e+06 9.80542e+03 Potential Pressure (bar) -3.36942e+06 -4.77087e+03 Step Time 4425 4425.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04989e+03 6.06828e+03 1.98883e+04 2.39614e+02 -1.09289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91534e+03 1.16664e+05 5.88205e+05 -4.11617e+06 9.80549e+03 Potential Pressure (bar) -3.36942e+06 -4.76998e+03 Step Time 4426 4426.00000 Step Time 4427 4427.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04290e+03 6.06833e+03 1.98882e+04 2.39597e+02 -1.09287e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91483e+03 1.16665e+05 5.88210e+05 -4.11618e+06 9.80554e+03 Potential Pressure (bar) -3.36944e+06 -4.77030e+03 Step Time 4428 4428.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05436e+03 6.06871e+03 1.98883e+04 2.39607e+02 -1.09292e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91539e+03 1.16664e+05 5.88237e+05 -4.11623e+06 9.80577e+03 Potential Pressure (bar) -3.36945e+06 -4.76936e+03 Step Time 4429 4429.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04509e+03 6.06892e+03 1.98883e+04 2.39582e+02 -1.09289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91464e+03 1.16665e+05 5.88242e+05 -4.11625e+06 9.80588e+03 Potential Pressure (bar) -3.36947e+06 -4.76986e+03 Step Time 4430 4430.00000 Step Time 4431 4431.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04429e+03 6.06784e+03 1.98883e+04 2.39598e+02 -1.09292e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91506e+03 1.16664e+05 5.88250e+05 -4.11626e+06 9.80590e+03 Potential Pressure (bar) -3.36948e+06 -4.76937e+03 Step Time 4432 4432.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04756e+03 6.06950e+03 1.98883e+04 2.39578e+02 -1.09290e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91452e+03 1.16665e+05 5.88258e+05 -4.11628e+06 9.80603e+03 Potential Pressure (bar) -3.36949e+06 -4.76969e+03 Step Time 4433 4433.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04697e+03 6.06800e+03 1.98883e+04 2.39596e+02 -1.09293e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91512e+03 1.16664e+05 5.88267e+05 -4.11630e+06 9.80610e+03 Potential Pressure (bar) -3.36949e+06 -4.76898e+03 Step Time 4434 4434.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05242e+03 6.07055e+03 1.98884e+04 2.39570e+02 -1.09291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91436e+03 1.16666e+05 5.88275e+05 -4.11632e+06 9.80623e+03 Potential Pressure (bar) -3.36950e+06 -4.76956e+03 Step Time 4435 4435.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05278e+03 6.06853e+03 1.98884e+04 2.39600e+02 -1.09295e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91524e+03 1.16664e+05 5.88284e+05 -4.11633e+06 9.80632e+03 Potential Pressure (bar) -3.36950e+06 -4.76859e+03 Step Time 4436 4436.00000 Step Time 4437 4437.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04273e+03 6.06823e+03 1.98884e+04 2.39580e+02 -1.09293e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91469e+03 1.16665e+05 5.88288e+05 -4.11634e+06 9.80639e+03 Potential Pressure (bar) -3.36952e+06 -4.76896e+03 Step Time 4438 4438.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05833e+03 6.06912e+03 1.98885e+04 2.39593e+02 -1.09300e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91524e+03 1.16663e+05 5.88330e+05 -4.11642e+06 9.80679e+03 Potential Pressure (bar) -3.36954e+06 -4.76780e+03 Step Time 4439 4439.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04484e+03 6.06880e+03 1.98885e+04 2.39564e+02 -1.09296e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91446e+03 1.16665e+05 5.88334e+05 -4.11643e+06 9.80686e+03 Potential Pressure (bar) -3.36956e+06 -4.76833e+03 Step Time 4440 4440.00000 Step Time 4441 4441.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04554e+03 6.06792e+03 1.98885e+04 2.39578e+02 -1.09299e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91490e+03 1.16664e+05 5.88344e+05 -4.11645e+06 9.80691e+03 Potential Pressure (bar) -3.36958e+06 -4.76774e+03 Step Time 4442 4442.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04734e+03 6.06940e+03 1.98885e+04 2.39556e+02 -1.09297e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91433e+03 1.16665e+05 5.88352e+05 -4.11647e+06 9.80707e+03 Potential Pressure (bar) -3.36958e+06 -4.76813e+03 Step Time 4443 4443.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04903e+03 6.06820e+03 1.98885e+04 2.39579e+02 -1.09300e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91498e+03 1.16664e+05 5.88361e+05 -4.11648e+06 9.80717e+03 Potential Pressure (bar) -3.36958e+06 -4.76740e+03 Step Time 4444 4444.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05246e+03 6.07050e+03 1.98885e+04 2.39549e+02 -1.09297e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91417e+03 1.16665e+05 5.88368e+05 -4.11650e+06 9.80725e+03 Potential Pressure (bar) -3.36959e+06 -4.76801e+03 Step Time 4445 4445.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05634e+03 6.06891e+03 1.98886e+04 2.39580e+02 -1.09302e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91511e+03 1.16663e+05 5.88377e+05 -4.11652e+06 9.80731e+03 Potential Pressure (bar) -3.36959e+06 -4.76702e+03 Step Time 4446 4446.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06292e+03 6.07266e+03 1.98885e+04 2.39537e+02 -1.09298e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91395e+03 1.16665e+05 5.88385e+05 -4.11654e+06 9.80750e+03 Potential Pressure (bar) -3.36960e+06 -4.76796e+03 Step Time 4447 4447.00000 Step Time 4448 4448.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04267e+03 6.06790e+03 1.98886e+04 2.39558e+02 -1.09301e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91461e+03 1.16664e+05 5.88390e+05 -4.11654e+06 9.80744e+03 Potential Pressure (bar) -3.36962e+06 -4.76711e+03 Step Time 4449 4449.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07310e+03 6.07433e+03 1.98886e+04 2.39526e+02 -1.09300e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91370e+03 1.16666e+05 5.88428e+05 -4.11663e+06 9.80791e+03 Potential Pressure (bar) -3.36963e+06 -4.76745e+03 Step Time 4450 4450.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04507e+03 6.06787e+03 1.98887e+04 2.39556e+02 -1.09305e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91468e+03 1.16664e+05 5.88434e+05 -4.11663e+06 9.80787e+03 Potential Pressure (bar) -3.36967e+06 -4.76630e+03 Step Time 4451 4451.00000 Step Time 4452 4452.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04981e+03 6.06987e+03 1.98887e+04 2.39531e+02 -1.09303e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91407e+03 1.16665e+05 5.88442e+05 -4.11666e+06 9.80803e+03 Potential Pressure (bar) -3.36968e+06 -4.76672e+03 Step Time 4453 4453.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04858e+03 6.06812e+03 1.98887e+04 2.39558e+02 -1.09307e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91477e+03 1.16663e+05 5.88451e+05 -4.11667e+06 9.80811e+03 Potential Pressure (bar) -3.36968e+06 -4.76593e+03 Step Time 4454 4454.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05635e+03 6.07126e+03 1.98887e+04 2.39524e+02 -1.09303e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91390e+03 1.16665e+05 5.88460e+05 -4.11669e+06 9.80825e+03 Potential Pressure (bar) -3.36968e+06 -4.76659e+03 Step Time 4455 4455.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05629e+03 6.06886e+03 1.98888e+04 2.39561e+02 -1.09309e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91492e+03 1.16663e+05 5.88468e+05 -4.11671e+06 9.80831e+03 Potential Pressure (bar) -3.36969e+06 -4.76551e+03 Step Time 4456 4456.00000 Step Time 4457 4457.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04318e+03 6.06831e+03 1.98887e+04 2.39537e+02 -1.09306e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91427e+03 1.16664e+05 5.88472e+05 -4.11672e+06 9.80833e+03 Potential Pressure (bar) -3.36971e+06 -4.76592e+03 Step Time 4458 4458.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06373e+03 6.06964e+03 1.98888e+04 2.39554e+02 -1.09312e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91495e+03 1.16663e+05 5.88509e+05 -4.11679e+06 9.80872e+03 Potential Pressure (bar) -3.36972e+06 -4.76479e+03 Step Time 4459 4459.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04603e+03 6.06904e+03 1.98888e+04 2.39519e+02 -1.09309e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91403e+03 1.16664e+05 5.88514e+05 -4.11680e+06 9.80874e+03 Potential Pressure (bar) -3.36975e+06 -4.76539e+03 Step Time 4460 4460.00000 Step Time 4461 4461.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04675e+03 6.06795e+03 1.98888e+04 2.39538e+02 -1.09311e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91455e+03 1.16663e+05 5.88524e+05 -4.11682e+06 9.80888e+03 Potential Pressure (bar) -3.36976e+06 -4.76479e+03 Step Time 4462 4462.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04943e+03 6.06983e+03 1.98888e+04 2.39511e+02 -1.09309e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91390e+03 1.16664e+05 5.88531e+05 -4.11684e+06 9.80898e+03 Potential Pressure (bar) -3.36977e+06 -4.76523e+03 Step Time 4463 4463.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05136e+03 6.06835e+03 1.98889e+04 2.39536e+02 -1.09313e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91464e+03 1.16663e+05 5.88540e+05 -4.11686e+06 9.80908e+03 Potential Pressure (bar) -3.36977e+06 -4.76440e+03 Step Time 4464 4464.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05634e+03 6.07129e+03 1.98889e+04 2.39503e+02 -1.09310e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91371e+03 1.16665e+05 5.88548e+05 -4.11688e+06 9.80920e+03 Potential Pressure (bar) -3.36978e+06 -4.76513e+03 Step Time 4465 4465.00000 Step Time 4466 4466.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04282e+03 6.06790e+03 1.98889e+04 2.39520e+02 -1.09312e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91424e+03 1.16664e+05 5.88552e+05 -4.11688e+06 9.80919e+03 Potential Pressure (bar) -3.36980e+06 -4.76449e+03 Step Time 4467 4467.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06300e+03 6.07242e+03 1.98890e+04 2.39487e+02 -1.09313e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91350e+03 1.16665e+05 5.88591e+05 -4.11697e+06 9.80967e+03 Potential Pressure (bar) -3.36982e+06 -4.76458e+03 Step Time 4468 4468.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04428e+03 6.06782e+03 1.98890e+04 2.39510e+02 -1.09316e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91428e+03 1.16663e+05 5.88597e+05 -4.11698e+06 9.80964e+03 Potential Pressure (bar) -3.36984e+06 -4.76365e+03 Step Time 4469 4469.00000 Step Time 4470 4470.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04773e+03 6.06937e+03 1.98890e+04 2.39494e+02 -1.09314e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91378e+03 1.16664e+05 5.88606e+05 -4.11700e+06 9.80974e+03 Potential Pressure (bar) -3.36985e+06 -4.76395e+03 Step Time 4471 4471.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04648e+03 6.06793e+03 1.98890e+04 2.39512e+02 -1.09318e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91434e+03 1.16663e+05 5.88614e+05 -4.11701e+06 9.80985e+03 Potential Pressure (bar) -3.36986e+06 -4.76329e+03 Step Time 4472 4472.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05207e+03 6.07030e+03 1.98890e+04 2.39487e+02 -1.09315e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91364e+03 1.16664e+05 5.88623e+05 -4.11703e+06 9.80997e+03 Potential Pressure (bar) -3.36987e+06 -4.76380e+03 Step Time 4473 4473.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05132e+03 6.06834e+03 1.98891e+04 2.39514e+02 -1.09319e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91445e+03 1.16662e+05 5.88632e+05 -4.11704e+06 9.81006e+03 Potential Pressure (bar) -3.36987e+06 -4.76290e+03 Step Time 4474 4474.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06062e+03 6.07208e+03 1.98891e+04 2.39479e+02 -1.09315e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91344e+03 1.16664e+05 5.88640e+05 -4.11707e+06 9.81015e+03 Potential Pressure (bar) -3.36987e+06 -4.76369e+03 Step Time 4475 4475.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06186e+03 6.06942e+03 1.98891e+04 2.39520e+02 -1.09321e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91462e+03 1.16662e+05 5.88649e+05 -4.11708e+06 9.81027e+03 Potential Pressure (bar) -3.36987e+06 -4.76252e+03 Step Time 4476 4476.00000 Step Time 4477 4477.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04352e+03 6.06833e+03 1.98891e+04 2.39491e+02 -1.09318e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91388e+03 1.16663e+05 5.88652e+05 -4.11709e+06 9.81029e+03 Potential Pressure (bar) -3.36990e+06 -4.76297e+03 Step Time 4478 4478.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07184e+03 6.07063e+03 1.98892e+04 2.39516e+02 -1.09326e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91465e+03 1.16662e+05 5.88692e+05 -4.11716e+06 9.81072e+03 Potential Pressure (bar) -3.36991e+06 -4.76173e+03 Step Time 4479 4479.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04713e+03 6.06924e+03 1.98892e+04 2.39473e+02 -1.09321e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91361e+03 1.16664e+05 5.88696e+05 -4.11718e+06 9.81075e+03 Potential Pressure (bar) -3.36994e+06 -4.76243e+03 Step Time 4480 4480.00000 Step Time 4481 4481.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04873e+03 6.06810e+03 1.98892e+04 2.39493e+02 -1.09324e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91421e+03 1.16662e+05 5.88706e+05 -4.11719e+06 9.81088e+03 Potential Pressure (bar) -3.36995e+06 -4.76171e+03 Step Time 4482 4482.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05152e+03 6.07020e+03 1.98892e+04 2.39463e+02 -1.09321e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91346e+03 1.16664e+05 5.88714e+05 -4.11721e+06 9.81100e+03 Potential Pressure (bar) -3.36996e+06 -4.76227e+03 Step Time 4483 4483.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05504e+03 6.06871e+03 1.98892e+04 2.39494e+02 -1.09325e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91433e+03 1.16662e+05 5.88723e+05 -4.11723e+06 9.81102e+03 Potential Pressure (bar) -3.36996e+06 -4.76134e+03 Step Time 4484 4484.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06052e+03 6.07207e+03 1.98892e+04 2.39455e+02 -1.09321e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91325e+03 1.16664e+05 5.88730e+05 -4.11725e+06 9.81115e+03 Potential Pressure (bar) -3.36996e+06 -4.76218e+03 Step Time 4485 4485.00000 Step Time 4486 4486.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04316e+03 6.06788e+03 1.98892e+04 2.39477e+02 -1.09324e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91387e+03 1.16663e+05 5.88735e+05 -4.11726e+06 9.81116e+03 Potential Pressure (bar) -3.36999e+06 -4.76143e+03 Step Time 4487 4487.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06925e+03 6.07352e+03 1.98893e+04 2.39444e+02 -1.09324e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91301e+03 1.16664e+05 5.88771e+05 -4.11733e+06 9.81167e+03 Potential Pressure (bar) -3.36999e+06 -4.76171e+03 Step Time 4488 4488.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04528e+03 6.06784e+03 1.98893e+04 2.39477e+02 -1.09328e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91392e+03 1.16662e+05 5.88777e+05 -4.11734e+06 9.81166e+03 Potential Pressure (bar) -3.37002e+06 -4.76063e+03 Step Time 4489 4489.00000 Step Time 4490 4490.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04925e+03 6.06964e+03 1.98893e+04 2.39455e+02 -1.09326e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91336e+03 1.16663e+05 5.88786e+05 -4.11736e+06 9.81174e+03 Potential Pressure (bar) -3.37003e+06 -4.76102e+03 Step Time 4491 4491.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04834e+03 6.06806e+03 1.98894e+04 2.39475e+02 -1.09329e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91400e+03 1.16662e+05 5.88794e+05 -4.11738e+06 9.81183e+03 Potential Pressure (bar) -3.37004e+06 -4.76025e+03 Step Time 4492 4492.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05488e+03 6.07085e+03 1.98894e+04 2.39444e+02 -1.09327e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91319e+03 1.16663e+05 5.88803e+05 -4.11740e+06 9.81199e+03 Potential Pressure (bar) -3.37004e+06 -4.76087e+03 Step Time 4493 4493.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05500e+03 6.06867e+03 1.98894e+04 2.39478e+02 -1.09331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91413e+03 1.16662e+05 5.88811e+05 -4.11741e+06 9.81204e+03 Potential Pressure (bar) -3.37005e+06 -4.75989e+03 Step Time 4494 4494.00000 Step Time 4495 4495.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04361e+03 6.06825e+03 1.98894e+04 2.39455e+02 -1.09329e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91354e+03 1.16663e+05 5.88815e+05 -4.11742e+06 9.81207e+03 Potential Pressure (bar) -3.37007e+06 -4.76025e+03 Step Time 4496 4496.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06137e+03 6.06943e+03 1.98895e+04 2.39464e+02 -1.09335e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91413e+03 1.16661e+05 5.88854e+05 -4.11750e+06 9.81249e+03 Potential Pressure (bar) -3.37009e+06 -4.75912e+03 Step Time 4497 4497.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04604e+03 6.06892e+03 1.98895e+04 2.39435e+02 -1.09331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91331e+03 1.16663e+05 5.88858e+05 -4.11751e+06 9.81257e+03 Potential Pressure (bar) -3.37011e+06 -4.75970e+03 Step Time 4498 4498.00000 Step Time 4499 4499.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04674e+03 6.06793e+03 1.98895e+04 2.39451e+02 -1.09333e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91379e+03 1.16662e+05 5.88868e+05 -4.11752e+06 9.81266e+03 Potential Pressure (bar) -3.37012e+06 -4.75910e+03 Step Time 4500 4500.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04895e+03 6.06960e+03 1.98895e+04 2.39427e+02 -1.09331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91317e+03 1.16663e+05 5.88875e+05 -4.11754e+06 9.81283e+03 Potential Pressure (bar) -3.37012e+06 -4.75950e+03 Step Time 4501 4501.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05073e+03 6.06826e+03 1.98895e+04 2.39453e+02 -1.09335e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91387e+03 1.16662e+05 5.88884e+05 -4.11756e+06 9.81284e+03 Potential Pressure (bar) -3.37013e+06 -4.75873e+03 Step Time 4502 4502.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05488e+03 6.07087e+03 1.98895e+04 2.39419e+02 -1.09332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91300e+03 1.16663e+05 5.88892e+05 -4.11758e+06 9.81299e+03 Potential Pressure (bar) -3.37014e+06 -4.75937e+03 Step Time 4503 4503.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05909e+03 6.06909e+03 1.98896e+04 2.39454e+02 -1.09337e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91402e+03 1.16661e+05 5.88902e+05 -4.11759e+06 9.81302e+03 Potential Pressure (bar) -3.37014e+06 -4.75833e+03 Step Time 4504 4504.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06694e+03 6.07333e+03 1.98896e+04 2.39408e+02 -1.09332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91277e+03 1.16663e+05 5.88909e+05 -4.11761e+06 9.81315e+03 Potential Pressure (bar) -3.37014e+06 -4.75936e+03 Step Time 4505 4505.00000 Step Time 4506 4506.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04347e+03 6.06789e+03 1.98896e+04 2.39434e+02 -1.09336e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91349e+03 1.16662e+05 5.88913e+05 -4.11762e+06 9.81315e+03 Potential Pressure (bar) -3.37017e+06 -4.75848e+03 Step Time 4507 4507.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07866e+03 6.07529e+03 1.98896e+04 2.39391e+02 -1.09334e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91252e+03 1.16664e+05 5.88953e+05 -4.11770e+06 9.81368e+03 Potential Pressure (bar) -3.37017e+06 -4.75883e+03 Step Time 4508 4508.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04618e+03 6.06789e+03 1.98897e+04 2.39425e+02 -1.09339e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91356e+03 1.16662e+05 5.88959e+05 -4.11771e+06 9.81367e+03 Potential Pressure (bar) -3.37021e+06 -4.75761e+03 Step Time 4509 4509.00000 Step Time 4510 4510.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05179e+03 6.07013e+03 1.98897e+04 2.39401e+02 -1.09337e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91292e+03 1.16663e+05 5.88967e+05 -4.11773e+06 9.81382e+03 Potential Pressure (bar) -3.37022e+06 -4.75802e+03 Step Time 4511 4511.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05020e+03 6.06819e+03 1.98897e+04 2.39428e+02 -1.09341e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91367e+03 1.16661e+05 5.88976e+05 -4.11774e+06 9.81392e+03 Potential Pressure (bar) -3.37023e+06 -4.75721e+03 Step Time 4512 4512.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05935e+03 6.07171e+03 1.98897e+04 2.39392e+02 -1.09337e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91273e+03 1.16663e+05 5.88984e+05 -4.11777e+06 9.81405e+03 Potential Pressure (bar) -3.37023e+06 -4.75796e+03 Step Time 4513 4513.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05904e+03 6.06907e+03 1.98898e+04 2.39434e+02 -1.09343e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91382e+03 1.16661e+05 5.88992e+05 -4.11778e+06 9.81408e+03 Potential Pressure (bar) -3.37023e+06 -4.75683e+03 Step Time 4514 4514.00000 Step Time 4515 4515.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04409e+03 6.06836e+03 1.98897e+04 2.39404e+02 -1.09340e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91313e+03 1.16662e+05 5.88996e+05 -4.11779e+06 9.81405e+03 Potential Pressure (bar) -3.37026e+06 -4.75725e+03 Step Time 4516 4516.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06755e+03 6.07000e+03 1.98898e+04 2.39430e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91385e+03 1.16660e+05 5.89031e+05 -4.11786e+06 9.81452e+03 Potential Pressure (bar) -3.37026e+06 -4.75611e+03 Step Time 4517 4517.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04737e+03 6.06921e+03 1.98898e+04 2.39389e+02 -1.09341e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91289e+03 1.16662e+05 5.89036e+05 -4.11787e+06 9.81452e+03 Potential Pressure (bar) -3.37029e+06 -4.75677e+03 Step Time 4518 4518.00000 Step Time 4519 4519.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04811e+03 6.06799e+03 1.98898e+04 2.39407e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91344e+03 1.16661e+05 5.89045e+05 -4.11789e+06 9.81466e+03 Potential Pressure (bar) -3.37030e+06 -4.75608e+03 Step Time 4520 4520.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05131e+03 6.07008e+03 1.98898e+04 2.39380e+02 -1.09342e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91274e+03 1.16662e+05 5.89053e+05 -4.11791e+06 9.81477e+03 Potential Pressure (bar) -3.37030e+06 -4.75661e+03 Step Time 4521 4521.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05338e+03 6.06846e+03 1.98899e+04 2.39410e+02 -1.09346e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91355e+03 1.16661e+05 5.89063e+05 -4.11792e+06 9.81483e+03 Potential Pressure (bar) -3.37031e+06 -4.75572e+03 Step Time 4522 4522.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05926e+03 6.07175e+03 1.98899e+04 2.39369e+02 -1.09342e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91254e+03 1.16662e+05 5.89070e+05 -4.11794e+06 9.81491e+03 Potential Pressure (bar) -3.37031e+06 -4.75652e+03 Step Time 4523 4523.00000 Step Time 4524 4524.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04361e+03 6.06791e+03 1.98899e+04 2.39389e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91312e+03 1.16661e+05 5.89074e+05 -4.11795e+06 9.81495e+03 Potential Pressure (bar) -3.37034e+06 -4.75582e+03 Step Time 4525 4525.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06701e+03 6.07303e+03 1.98899e+04 2.39359e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91231e+03 1.16662e+05 5.89116e+05 -4.11804e+06 9.81546e+03 Potential Pressure (bar) -3.37035e+06 -4.75591e+03 Step Time 4526 4526.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04527e+03 6.06783e+03 1.98900e+04 2.39389e+02 -1.09349e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91315e+03 1.16661e+05 5.89121e+05 -4.11804e+06 9.81548e+03 Potential Pressure (bar) -3.37038e+06 -4.75496e+03 Step Time 4527 4527.00000 Step Time 4528 4528.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04934e+03 6.06957e+03 1.98900e+04 2.39364e+02 -1.09346e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91262e+03 1.16662e+05 5.89130e+05 -4.11806e+06 9.81563e+03 Potential Pressure (bar) -3.37039e+06 -4.75527e+03 Step Time 4529 4529.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04778e+03 6.06797e+03 1.98900e+04 2.39387e+02 -1.09350e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91322e+03 1.16661e+05 5.89139e+05 -4.11808e+06 9.81571e+03 Potential Pressure (bar) -3.37040e+06 -4.75457e+03 Step Time 4530 4530.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05434e+03 6.07065e+03 1.98900e+04 2.39354e+02 -1.09347e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91247e+03 1.16662e+05 5.89147e+05 -4.11810e+06 9.81583e+03 Potential Pressure (bar) -3.37040e+06 -4.75512e+03 Step Time 4531 4531.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05334e+03 6.06846e+03 1.98901e+04 2.39388e+02 -1.09352e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91333e+03 1.16660e+05 5.89155e+05 -4.11811e+06 9.81595e+03 Potential Pressure (bar) -3.37041e+06 -4.75419e+03 Step Time 4532 4532.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06418e+03 6.07268e+03 1.98900e+04 2.39344e+02 -1.09347e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91227e+03 1.16662e+05 5.89164e+05 -4.11814e+06 9.81607e+03 Potential Pressure (bar) -3.37041e+06 -4.75507e+03 Step Time 4533 4533.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06542e+03 6.06970e+03 1.98901e+04 2.39396e+02 -1.09354e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91353e+03 1.16660e+05 5.89172e+05 -4.11814e+06 9.81611e+03 Potential Pressure (bar) -3.37041e+06 -4.75381e+03 Step Time 4534 4534.00000 Step Time 4535 4535.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04444e+03 6.06841e+03 1.98901e+04 2.39364e+02 -1.09350e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91274e+03 1.16661e+05 5.89176e+05 -4.11816e+06 9.81611e+03 Potential Pressure (bar) -3.37044e+06 -4.75428e+03 Step Time 4536 4536.00000 Step Time 4537 4537.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04967e+03 6.06810e+03 1.98901e+04 2.39372e+02 -1.09354e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91316e+03 1.16660e+05 5.89195e+05 -4.11819e+06 9.81637e+03 Potential Pressure (bar) -3.37045e+06 -4.75360e+03 Step Time 4538 4538.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04610e+03 6.06885e+03 1.98901e+04 2.39350e+02 -1.09351e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91259e+03 1.16661e+05 5.89201e+05 -4.11821e+06 9.81642e+03 Potential Pressure (bar) -3.37046e+06 -4.75397e+03 Step Time 4539 4539.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05420e+03 6.06851e+03 1.98902e+04 2.39372e+02 -1.09355e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91322e+03 1.16660e+05 5.89214e+05 -4.11823e+06 9.81662e+03 Potential Pressure (bar) -3.37047e+06 -4.75317e+03 Step Time 4540 4540.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04995e+03 6.06976e+03 1.98902e+04 2.39342e+02 -1.09352e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91242e+03 1.16661e+05 5.89220e+05 -4.11825e+06 9.81666e+03 Potential Pressure (bar) -3.37048e+06 -4.75377e+03 Step Time 4541 4541.00000 Step Time 4542 4542.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04466e+03 6.06783e+03 1.98902e+04 2.39359e+02 -1.09354e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91288e+03 1.16660e+05 5.89226e+05 -4.11825e+06 9.81673e+03 Potential Pressure (bar) -3.37049e+06 -4.75320e+03 Step Time 4543 4543.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05385e+03 6.07057e+03 1.98902e+04 2.39336e+02 -1.09352e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91228e+03 1.16661e+05 5.89240e+05 -4.11829e+06 9.81690e+03 Potential Pressure (bar) -3.37050e+06 -4.75355e+03 Step Time 4544 4544.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04689e+03 6.06790e+03 1.98902e+04 2.39357e+02 -1.09356e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91295e+03 1.16660e+05 5.89247e+05 -4.11830e+06 9.81694e+03 Potential Pressure (bar) -3.37051e+06 -4.75280e+03 Step Time 4545 4545.00000 Step Time 4546 4546.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04527e+03 6.06858e+03 1.98902e+04 2.39338e+02 -1.09354e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91253e+03 1.16661e+05 5.89252e+05 -4.11831e+06 9.81703e+03 Potential Pressure (bar) -3.37052e+06 -4.75308e+03 Step Time 4547 4547.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04934e+03 6.06808e+03 1.98903e+04 2.39353e+02 -1.09357e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91300e+03 1.16660e+05 5.89265e+05 -4.11834e+06 9.81715e+03 Potential Pressure (bar) -3.37053e+06 -4.75242e+03 Step Time 4548 4548.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04753e+03 6.06914e+03 1.98902e+04 2.39327e+02 -1.09355e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91239e+03 1.16661e+05 5.89272e+05 -4.11835e+06 9.81726e+03 Potential Pressure (bar) -3.37054e+06 -4.75283e+03 Step Time 4549 4549.00000 Step Time 4550 4550.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04427e+03 6.06784e+03 1.98903e+04 2.39340e+02 -1.09357e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91273e+03 1.16660e+05 5.89277e+05 -4.11836e+06 9.81727e+03 Potential Pressure (bar) -3.37055e+06 -4.75240e+03 Step Time 4551 4551.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04980e+03 6.06965e+03 1.98903e+04 2.39325e+02 -1.09355e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91227e+03 1.16661e+05 5.89292e+05 -4.11839e+06 9.81750e+03 Potential Pressure (bar) -3.37055e+06 -4.75260e+03 Step Time 4552 4552.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04546e+03 6.06783e+03 1.98903e+04 2.39341e+02 -1.09358e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91277e+03 1.16660e+05 5.89298e+05 -4.11840e+06 9.81752e+03 Potential Pressure (bar) -3.37056e+06 -4.75200e+03 Step Time 4553 4553.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05391e+03 6.07053e+03 1.98903e+04 2.39314e+02 -1.09356e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91214e+03 1.16661e+05 5.89310e+05 -4.11843e+06 9.81771e+03 Potential Pressure (bar) -3.37057e+06 -4.75241e+03 Step Time 4554 4554.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04848e+03 6.06800e+03 1.98903e+04 2.39337e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91285e+03 1.16660e+05 5.89317e+05 -4.11844e+06 9.81772e+03 Potential Pressure (bar) -3.37058e+06 -4.75159e+03 Step Time 4555 4555.00000 Step Time 4556 4556.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04504e+03 6.06849e+03 1.98903e+04 2.39322e+02 -1.09358e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91240e+03 1.16661e+05 5.89322e+05 -4.11845e+06 9.81779e+03 Potential Pressure (bar) -3.37059e+06 -4.75188e+03 Step Time 4557 4557.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05163e+03 6.06827e+03 1.98904e+04 2.39338e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91289e+03 1.16660e+05 5.89339e+05 -4.11848e+06 9.81800e+03 Potential Pressure (bar) -3.37060e+06 -4.75116e+03 Step Time 4558 4558.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04726e+03 6.06906e+03 1.98904e+04 2.39313e+02 -1.09358e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91224e+03 1.16661e+05 5.89345e+05 -4.11850e+06 9.81808e+03 Potential Pressure (bar) -3.37061e+06 -4.75159e+03 Step Time 4559 4559.00000 Step Time 4560 4560.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04484e+03 6.06784e+03 1.98904e+04 2.39326e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91261e+03 1.16660e+05 5.89351e+05 -4.11851e+06 9.81817e+03 Potential Pressure (bar) -3.37062e+06 -4.75113e+03 Step Time 4561 4561.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04958e+03 6.06959e+03 1.98904e+04 2.39307e+02 -1.09359e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91214e+03 1.16661e+05 5.89362e+05 -4.11853e+06 9.81825e+03 Potential Pressure (bar) -3.37063e+06 -4.75140e+03 Step Time 4562 4562.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04654e+03 6.06788e+03 1.98904e+04 2.39324e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91267e+03 1.16660e+05 5.89369e+05 -4.11855e+06 9.81832e+03 Potential Pressure (bar) -3.37064e+06 -4.75077e+03 Step Time 4563 4563.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05395e+03 6.07053e+03 1.98904e+04 2.39297e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91199e+03 1.16661e+05 5.89379e+05 -4.11857e+06 9.81848e+03 Potential Pressure (bar) -3.37064e+06 -4.75123e+03 Step Time 4564 4564.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05052e+03 6.06819e+03 1.98905e+04 2.39325e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91276e+03 1.16659e+05 5.89387e+05 -4.11858e+06 9.81856e+03 Potential Pressure (bar) -3.37065e+06 -4.75038e+03 Step Time 4565 4565.00000 Step Time 4566 4566.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04481e+03 6.06839e+03 1.98905e+04 2.39305e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91227e+03 1.16660e+05 5.89391e+05 -4.11860e+06 9.81861e+03 Potential Pressure (bar) -3.37066e+06 -4.75069e+03 Step Time 4567 4567.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05451e+03 6.06855e+03 1.98905e+04 2.39323e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91279e+03 1.16659e+05 5.89414e+05 -4.11864e+06 9.81882e+03 Potential Pressure (bar) -3.37067e+06 -4.74984e+03 Step Time 4568 4568.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04699e+03 6.06897e+03 1.98905e+04 2.39295e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91210e+03 1.16660e+05 5.89419e+05 -4.11865e+06 9.81891e+03 Potential Pressure (bar) -3.37069e+06 -4.75036e+03 Step Time 4569 4569.00000 Step Time 4570 4570.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04568e+03 6.06784e+03 1.98906e+04 2.39309e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91250e+03 1.16660e+05 5.89427e+05 -4.11866e+06 9.81900e+03 Potential Pressure (bar) -3.37070e+06 -4.74984e+03 Step Time 4571 4571.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04938e+03 6.06952e+03 1.98906e+04 2.39291e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91198e+03 1.16660e+05 5.89436e+05 -4.11869e+06 9.81910e+03 Potential Pressure (bar) -3.37070e+06 -4.75018e+03 Step Time 4572 4572.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04798e+03 6.06797e+03 1.98906e+04 2.39310e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91256e+03 1.16659e+05 5.89444e+05 -4.11870e+06 9.81919e+03 Potential Pressure (bar) -3.37071e+06 -4.74950e+03 Step Time 4573 4573.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05399e+03 6.07052e+03 1.98906e+04 2.39283e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91183e+03 1.16661e+05 5.89453e+05 -4.11872e+06 9.81932e+03 Potential Pressure (bar) -3.37071e+06 -4.75002e+03 Step Time 4574 4574.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05307e+03 6.06840e+03 1.98906e+04 2.39312e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91267e+03 1.16659e+05 5.89461e+05 -4.11873e+06 9.81943e+03 Potential Pressure (bar) -3.37072e+06 -4.74910e+03 Step Time 4575 4575.00000 Step Time 4576 4576.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04465e+03 6.06828e+03 1.98906e+04 2.39292e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91214e+03 1.16660e+05 5.89466e+05 -4.11874e+06 9.81946e+03 Potential Pressure (bar) -3.37073e+06 -4.74943e+03 Step Time 4577 4577.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05803e+03 6.06895e+03 1.98907e+04 2.39305e+02 -1.09370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91267e+03 1.16659e+05 5.89499e+05 -4.11881e+06 9.81978e+03 Potential Pressure (bar) -3.37075e+06 -4.74844e+03 Step Time 4578 4578.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04674e+03 6.06886e+03 1.98907e+04 2.39276e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91193e+03 1.16660e+05 5.89503e+05 -4.11882e+06 9.81989e+03 Potential Pressure (bar) -3.37077e+06 -4.74894e+03 Step Time 4579 4579.00000 Step Time 4580 4580.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04678e+03 6.06791e+03 1.98907e+04 2.39293e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91235e+03 1.16659e+05 5.89512e+05 -4.11884e+06 9.82001e+03 Potential Pressure (bar) -3.37078e+06 -4.74840e+03 Step Time 4581 4581.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04917e+03 6.06942e+03 1.98907e+04 2.39267e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91181e+03 1.16660e+05 5.89520e+05 -4.11886e+06 9.82006e+03 Potential Pressure (bar) -3.37079e+06 -4.74873e+03 Step Time 4582 4582.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04980e+03 6.06815e+03 1.98908e+04 2.39295e+02 -1.09370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91242e+03 1.16659e+05 5.89529e+05 -4.11887e+06 9.82014e+03 Potential Pressure (bar) -3.37079e+06 -4.74803e+03 Step Time 4583 4583.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05402e+03 6.07047e+03 1.98907e+04 2.39262e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91166e+03 1.16660e+05 5.89537e+05 -4.11889e+06 9.82029e+03 Potential Pressure (bar) -3.37080e+06 -4.74863e+03 Step Time 4584 4584.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05628e+03 6.06876e+03 1.98908e+04 2.39296e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91255e+03 1.16658e+05 5.89546e+05 -4.11890e+06 9.82035e+03 Potential Pressure (bar) -3.37080e+06 -4.74769e+03 Step Time 4585 4585.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06384e+03 6.07249e+03 1.98908e+04 2.39249e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91145e+03 1.16660e+05 5.89553e+05 -4.11892e+06 9.82048e+03 Potential Pressure (bar) -3.37081e+06 -4.74857e+03 Step Time 4586 4586.00000 Step Time 4587 4587.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04440e+03 6.06796e+03 1.98908e+04 2.39272e+02 -1.09370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91208e+03 1.16659e+05 5.89557e+05 -4.11893e+06 9.82050e+03 Potential Pressure (bar) -3.37083e+06 -4.74779e+03 Step Time 4588 4588.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07342e+03 6.07398e+03 1.98909e+04 2.39226e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91121e+03 1.16660e+05 5.89602e+05 -4.11902e+06 9.82102e+03 Potential Pressure (bar) -3.37084e+06 -4.74792e+03 Step Time 4589 4589.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04640e+03 6.06788e+03 1.98909e+04 2.39265e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91212e+03 1.16659e+05 5.89607e+05 -4.11903e+06 9.82104e+03 Potential Pressure (bar) -3.37088e+06 -4.74684e+03 Step Time 4590 4590.00000 Step Time 4591 4591.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05156e+03 6.06987e+03 1.98909e+04 2.39236e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91154e+03 1.16660e+05 5.89616e+05 -4.11905e+06 9.82115e+03 Potential Pressure (bar) -3.37088e+06 -4.74720e+03 Step Time 4592 4592.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04947e+03 6.06810e+03 1.98909e+04 2.39264e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91221e+03 1.16658e+05 5.89624e+05 -4.11906e+06 9.82122e+03 Potential Pressure (bar) -3.37089e+06 -4.74647e+03 Step Time 4593 4593.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05774e+03 6.07116e+03 1.98909e+04 2.39230e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91138e+03 1.16660e+05 5.89633e+05 -4.11909e+06 9.82135e+03 Potential Pressure (bar) -3.37089e+06 -4.74710e+03 Step Time 4594 4594.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05628e+03 6.06875e+03 1.98910e+04 2.39269e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91234e+03 1.16658e+05 5.89642e+05 -4.11909e+06 9.82141e+03 Potential Pressure (bar) -3.37090e+06 -4.74609e+03 Step Time 4595 4595.00000 Step Time 4596 4596.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04513e+03 6.06838e+03 1.98910e+04 2.39242e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91173e+03 1.16659e+05 5.89646e+05 -4.11911e+06 9.82146e+03 Potential Pressure (bar) -3.37092e+06 -4.74645e+03 Step Time 4597 4597.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06298e+03 6.06945e+03 1.98911e+04 2.39266e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91238e+03 1.16658e+05 5.89677e+05 -4.11917e+06 9.82180e+03 Potential Pressure (bar) -3.37093e+06 -4.74542e+03 Step Time 4598 4598.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04792e+03 6.06910e+03 1.98910e+04 2.39230e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91151e+03 1.16659e+05 5.89681e+05 -4.11918e+06 9.82182e+03 Potential Pressure (bar) -3.37095e+06 -4.74600e+03 Step Time 4599 4599.00000 Step Time 4600 4600.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04791e+03 6.06797e+03 1.98911e+04 2.39249e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91201e+03 1.16658e+05 5.89690e+05 -4.11919e+06 9.82189e+03 Potential Pressure (bar) -3.37096e+06 -4.74542e+03 Step Time 4601 4601.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05118e+03 6.06983e+03 1.98911e+04 2.39223e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91138e+03 1.16659e+05 5.89698e+05 -4.11921e+06 9.82201e+03 Potential Pressure (bar) -3.37097e+06 -4.74584e+03 Step Time 4602 4602.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05195e+03 6.06830e+03 1.98911e+04 2.39249e+02 -1.09378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91210e+03 1.16658e+05 5.89707e+05 -4.11923e+06 9.82211e+03 Potential Pressure (bar) -3.37097e+06 -4.74501e+03 Step Time 4603 4603.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05770e+03 6.07121e+03 1.98911e+04 2.39213e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91120e+03 1.16659e+05 5.89715e+05 -4.11925e+06 9.82225e+03 Potential Pressure (bar) -3.37098e+06 -4.74570e+03 Step Time 4604 4604.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06056e+03 6.06917e+03 1.98911e+04 2.39253e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91224e+03 1.16657e+05 5.89724e+05 -4.11926e+06 9.82231e+03 Potential Pressure (bar) -3.37098e+06 -4.74465e+03 Step Time 4605 4605.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07083e+03 6.07386e+03 1.98911e+04 2.39201e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91097e+03 1.16660e+05 5.89731e+05 -4.11928e+06 9.82246e+03 Potential Pressure (bar) -3.37098e+06 -4.74570e+03 Step Time 4606 4606.00000 Step Time 4607 4607.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04475e+03 6.06796e+03 1.98911e+04 2.39227e+02 -1.09378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91170e+03 1.16658e+05 5.89736e+05 -4.11929e+06 9.82240e+03 Potential Pressure (bar) -3.37101e+06 -4.74480e+03 Step Time 4608 4608.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08358e+03 6.07596e+03 1.98912e+04 2.39185e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91068e+03 1.16660e+05 5.89784e+05 -4.11939e+06 9.82305e+03 Potential Pressure (bar) -3.37102e+06 -4.74508e+03 Step Time 4609 4609.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04737e+03 6.06789e+03 1.98912e+04 2.39222e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91176e+03 1.16658e+05 5.89788e+05 -4.11939e+06 9.82304e+03 Potential Pressure (bar) -3.37106e+06 -4.74380e+03 Step Time 4610 4610.00000 Step Time 4611 4611.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05432e+03 6.07047e+03 1.98912e+04 2.39192e+02 -1.09378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91110e+03 1.16659e+05 5.89798e+05 -4.11942e+06 9.82311e+03 Potential Pressure (bar) -3.37106e+06 -4.74424e+03 Step Time 4612 4612.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05146e+03 6.06819e+03 1.98913e+04 2.39223e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91187e+03 1.16657e+05 5.89806e+05 -4.11943e+06 9.82319e+03 Potential Pressure (bar) -3.37107e+06 -4.74341e+03 Step Time 4613 4613.00000 Step Time 4614 4614.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04543e+03 6.06839e+03 1.98913e+04 2.39203e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91138e+03 1.16658e+05 5.89810e+05 -4.11944e+06 9.82330e+03 Potential Pressure (bar) -3.37109e+06 -4.74370e+03 Step Time 4615 4615.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05557e+03 6.06859e+03 1.98914e+04 2.39224e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91190e+03 1.16657e+05 5.89834e+05 -4.11949e+06 9.82352e+03 Potential Pressure (bar) -3.37110e+06 -4.74287e+03 Step Time 4616 4616.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04751e+03 6.06897e+03 1.98913e+04 2.39194e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91120e+03 1.16658e+05 5.89839e+05 -4.11950e+06 9.82358e+03 Potential Pressure (bar) -3.37112e+06 -4.74331e+03 Step Time 4617 4617.00000 Step Time 4618 4618.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04653e+03 6.06788e+03 1.98914e+04 2.39205e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91160e+03 1.16657e+05 5.89847e+05 -4.11951e+06 9.82367e+03 Potential Pressure (bar) -3.37112e+06 -4.74283e+03 Step Time 4619 4619.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04983e+03 6.06951e+03 1.98914e+04 2.39185e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91109e+03 1.16658e+05 5.89856e+05 -4.11953e+06 9.82380e+03 Potential Pressure (bar) -3.37113e+06 -4.74312e+03 Step Time 4620 4620.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04890e+03 6.06802e+03 1.98914e+04 2.39207e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91166e+03 1.16657e+05 5.89864e+05 -4.11955e+06 9.82387e+03 Potential Pressure (bar) -3.37114e+06 -4.74248e+03 Step Time 4621 4621.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05436e+03 6.07048e+03 1.98914e+04 2.39177e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91094e+03 1.16658e+05 5.89872e+05 -4.11957e+06 9.82401e+03 Potential Pressure (bar) -3.37114e+06 -4.74300e+03 Step Time 4622 4622.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05411e+03 6.06846e+03 1.98914e+04 2.39210e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91177e+03 1.16657e+05 5.89881e+05 -4.11958e+06 9.82407e+03 Potential Pressure (bar) -3.37114e+06 -4.74213e+03 Step Time 4623 4623.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06329e+03 6.07233e+03 1.98914e+04 2.39169e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91074e+03 1.16659e+05 5.89889e+05 -4.11960e+06 9.82419e+03 Potential Pressure (bar) -3.37115e+06 -4.74293e+03 Step Time 4624 4624.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06534e+03 6.06964e+03 1.98915e+04 2.39215e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91195e+03 1.16656e+05 5.89898e+05 -4.11961e+06 9.82429e+03 Potential Pressure (bar) -3.37115e+06 -4.74171e+03 Step Time 4625 4625.00000 Step Time 4626 4626.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04551e+03 6.06841e+03 1.98915e+04 2.39182e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91119e+03 1.16658e+05 5.89902e+05 -4.11962e+06 9.82425e+03 Potential Pressure (bar) -3.37118e+06 -4.74218e+03 Step Time 4627 4627.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07600e+03 6.07086e+03 1.98916e+04 2.39212e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91198e+03 1.16656e+05 5.89943e+05 -4.11970e+06 9.82478e+03 Potential Pressure (bar) -3.37118e+06 -4.74091e+03 Step Time 4628 4628.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04925e+03 6.06932e+03 1.98915e+04 2.39166e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91092e+03 1.16658e+05 5.89947e+05 -4.11972e+06 9.82478e+03 Potential Pressure (bar) -3.37122e+06 -4.74159e+03 Step Time 4629 4629.00000 Step Time 4630 4630.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05130e+03 6.06822e+03 1.98916e+04 2.39184e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91153e+03 1.16657e+05 5.89956e+05 -4.11973e+06 9.82483e+03 Potential Pressure (bar) -3.37122e+06 -4.74086e+03 Step Time 4631 4631.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05382e+03 6.07033e+03 1.98916e+04 2.39155e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91076e+03 1.16658e+05 5.89963e+05 -4.11975e+06 9.82494e+03 Potential Pressure (bar) -3.37123e+06 -4.74146e+03 Step Time 4632 4632.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05805e+03 6.06889e+03 1.98916e+04 2.39187e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91165e+03 1.16656e+05 5.89973e+05 -4.11976e+06 9.82501e+03 Potential Pressure (bar) -3.37124e+06 -4.74049e+03 Step Time 4633 4633.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06320e+03 6.07229e+03 1.98916e+04 2.39147e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91055e+03 1.16658e+05 5.89980e+05 -4.11979e+06 9.82521e+03 Potential Pressure (bar) -3.37124e+06 -4.74140e+03 Step Time 4634 4634.00000 Step Time 4635 4635.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04527e+03 6.06797e+03 1.98916e+04 2.39168e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91118e+03 1.16657e+05 5.89984e+05 -4.11979e+06 9.82517e+03 Potential Pressure (bar) -3.37126e+06 -4.74060e+03 Step Time 4636 4636.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07224e+03 6.07383e+03 1.98916e+04 2.39135e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91035e+03 1.16658e+05 5.90017e+05 -4.11987e+06 9.82558e+03 Potential Pressure (bar) -3.37127e+06 -4.74094e+03 Step Time 4637 4637.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04758e+03 6.06795e+03 1.98917e+04 2.39166e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91126e+03 1.16657e+05 5.90023e+05 -4.11987e+06 9.82553e+03 Potential Pressure (bar) -3.37130e+06 -4.73988e+03 Step Time 4638 4638.00000 Step Time 4639 4639.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05144e+03 6.06973e+03 1.98917e+04 2.39142e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91068e+03 1.16657e+05 5.90031e+05 -4.11989e+06 9.82567e+03 Potential Pressure (bar) -3.37131e+06 -4.74025e+03 Step Time 4640 4640.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05088e+03 6.06817e+03 1.98917e+04 2.39169e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91134e+03 1.16656e+05 5.90040e+05 -4.11990e+06 9.82573e+03 Potential Pressure (bar) -3.37132e+06 -4.73951e+03 Step Time 4641 4641.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05728e+03 6.07098e+03 1.98917e+04 2.39135e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91052e+03 1.16658e+05 5.90048e+05 -4.11993e+06 9.82593e+03 Potential Pressure (bar) -3.37132e+06 -4.74012e+03 Step Time 4642 4642.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05803e+03 6.06886e+03 1.98918e+04 2.39171e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91148e+03 1.16656e+05 5.90056e+05 -4.11993e+06 9.82592e+03 Potential Pressure (bar) -3.37132e+06 -4.73912e+03 Step Time 4643 4643.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06893e+03 6.07334e+03 1.98917e+04 2.39122e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91029e+03 1.16658e+05 5.90065e+05 -4.11996e+06 9.82610e+03 Potential Pressure (bar) -3.37132e+06 -4.74007e+03 Step Time 4644 4644.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07334e+03 6.07051e+03 1.98918e+04 2.39176e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91169e+03 1.16655e+05 5.90073e+05 -4.11997e+06 9.82612e+03 Potential Pressure (bar) -3.37132e+06 -4.73872e+03 Step Time 4645 4645.00000 Step Time 4646 4646.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04588e+03 6.06844e+03 1.98918e+04 2.39140e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91081e+03 1.16657e+05 5.90077e+05 -4.11998e+06 9.82609e+03 Potential Pressure (bar) -3.37136e+06 -4.73924e+03 Step Time 4647 4647.00000 Step Time 4648 4648.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05333e+03 6.06840e+03 1.98918e+04 2.39157e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91127e+03 1.16656e+05 5.90099e+05 -4.12002e+06 9.82634e+03 Potential Pressure (bar) -3.37137e+06 -4.73846e+03 Step Time 4649 4649.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04774e+03 6.06890e+03 1.98918e+04 2.39131e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91065e+03 1.16657e+05 5.90104e+05 -4.12004e+06 9.82649e+03 Potential Pressure (bar) -3.37139e+06 -4.73890e+03 Step Time 4650 4650.00000 Step Time 4651 4651.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04644e+03 6.06788e+03 1.98918e+04 2.39145e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91100e+03 1.16656e+05 5.90111e+05 -4.12005e+06 9.82648e+03 Potential Pressure (bar) -3.37139e+06 -4.73844e+03 Step Time 4652 4652.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04971e+03 6.06934e+03 1.98919e+04 2.39125e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91054e+03 1.16657e+05 5.90121e+05 -4.12007e+06 9.82665e+03 Potential Pressure (bar) -3.37140e+06 -4.73868e+03 Step Time 4653 4653.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04821e+03 6.06795e+03 1.98919e+04 2.39144e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91105e+03 1.16656e+05 5.90129e+05 -4.12008e+06 9.82671e+03 Potential Pressure (bar) -3.37141e+06 -4.73807e+03 Step Time 4654 4654.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05346e+03 6.07017e+03 1.98919e+04 2.39116e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91041e+03 1.16657e+05 5.90137e+05 -4.12011e+06 9.82681e+03 Potential Pressure (bar) -3.37142e+06 -4.73855e+03 Step Time 4655 4655.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05218e+03 6.06827e+03 1.98919e+04 2.39144e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91115e+03 1.16656e+05 5.90145e+05 -4.12012e+06 9.82679e+03 Potential Pressure (bar) -3.37142e+06 -4.73772e+03 Step Time 4656 4656.00000 Step Time 4657 4657.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04581e+03 6.06832e+03 1.98919e+04 2.39124e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91068e+03 1.16656e+05 5.90149e+05 -4.12013e+06 9.82689e+03 Potential Pressure (bar) -3.37143e+06 -4.73802e+03 Step Time 4658 4658.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05608e+03 6.06862e+03 1.98920e+04 2.39141e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91116e+03 1.16655e+05 5.90180e+05 -4.12019e+06 9.82723e+03 Potential Pressure (bar) -3.37145e+06 -4.73708e+03 Step Time 4659 4659.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04757e+03 6.06881e+03 1.98920e+04 2.39113e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91049e+03 1.16656e+05 5.90185e+05 -4.12020e+06 9.82728e+03 Potential Pressure (bar) -3.37147e+06 -4.73754e+03 Step Time 4660 4660.00000 Step Time 4661 4661.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04732e+03 6.06792e+03 1.98920e+04 2.39124e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91087e+03 1.16656e+05 5.90193e+05 -4.12021e+06 9.82734e+03 Potential Pressure (bar) -3.37148e+06 -4.73706e+03 Step Time 4662 4662.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04956e+03 6.06927e+03 1.98920e+04 2.39105e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91038e+03 1.16656e+05 5.90201e+05 -4.12023e+06 9.82739e+03 Potential Pressure (bar) -3.37148e+06 -4.73737e+03 Step Time 4663 4663.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04966e+03 6.06807e+03 1.98920e+04 2.39126e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91093e+03 1.16655e+05 5.90209e+05 -4.12025e+06 9.82747e+03 Potential Pressure (bar) -3.37149e+06 -4.73672e+03 Step Time 4664 4664.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05352e+03 6.07015e+03 1.98920e+04 2.39099e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91024e+03 1.16656e+05 5.90217e+05 -4.12027e+06 9.82764e+03 Potential Pressure (bar) -3.37149e+06 -4.73720e+03 Step Time 4665 4665.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05468e+03 6.06852e+03 1.98921e+04 2.39127e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91104e+03 1.16655e+05 5.90226e+05 -4.12028e+06 9.82769e+03 Potential Pressure (bar) -3.37150e+06 -4.73636e+03 Step Time 4666 4666.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06147e+03 6.07179e+03 1.98921e+04 2.39090e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91005e+03 1.16657e+05 5.90234e+05 -4.12030e+06 9.82782e+03 Potential Pressure (bar) -3.37150e+06 -4.73713e+03 Step Time 4667 4667.00000 Step Time 4668 4668.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04557e+03 6.06800e+03 1.98921e+04 2.39112e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91062e+03 1.16656e+05 5.90238e+05 -4.12030e+06 9.82779e+03 Potential Pressure (bar) -3.37152e+06 -4.73641e+03 Step Time 4669 4669.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06920e+03 6.07311e+03 1.98921e+04 2.39073e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90982e+03 1.16657e+05 5.90285e+05 -4.12040e+06 9.82832e+03 Potential Pressure (bar) -3.37154e+06 -4.73643e+03 Step Time 4670 4670.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04707e+03 6.06790e+03 1.98922e+04 2.39102e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91064e+03 1.16655e+05 5.90290e+05 -4.12041e+06 9.82837e+03 Potential Pressure (bar) -3.37157e+06 -4.73546e+03 Step Time 4671 4671.00000 Step Time 4672 4672.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05157e+03 6.06967e+03 1.98922e+04 2.39076e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91013e+03 1.16656e+05 5.90299e+05 -4.12043e+06 9.82844e+03 Potential Pressure (bar) -3.37158e+06 -4.73576e+03 Step Time 4673 4673.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04944e+03 6.06803e+03 1.98922e+04 2.39100e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91072e+03 1.16655e+05 5.90307e+05 -4.12044e+06 9.82850e+03 Potential Pressure (bar) -3.37158e+06 -4.73510e+03 Step Time 4674 4674.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05657e+03 6.07075e+03 1.98922e+04 2.39071e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90997e+03 1.16656e+05 5.90315e+05 -4.12046e+06 9.82863e+03 Potential Pressure (bar) -3.37159e+06 -4.73561e+03 Step Time 4675 4675.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05475e+03 6.06848e+03 1.98922e+04 2.39105e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91084e+03 1.16654e+05 5.90323e+05 -4.12047e+06 9.82870e+03 Potential Pressure (bar) -3.37159e+06 -4.73471e+03 Step Time 4676 4676.00000 Step Time 4677 4677.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04630e+03 6.06840e+03 1.98922e+04 2.39080e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91029e+03 1.16655e+05 5.90328e+05 -4.12048e+06 9.82871e+03 Potential Pressure (bar) -3.37161e+06 -4.73504e+03 Step Time 4678 4678.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05996e+03 6.06898e+03 1.98923e+04 2.39109e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91087e+03 1.16654e+05 5.90356e+05 -4.12054e+06 9.82901e+03 Potential Pressure (bar) -3.37162e+06 -4.73406e+03 Step Time 4679 4679.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04861e+03 6.06902e+03 1.98923e+04 2.39073e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91010e+03 1.16655e+05 5.90361e+05 -4.12055e+06 9.82903e+03 Potential Pressure (bar) -3.37164e+06 -4.73461e+03 Step Time 4680 4680.00000 Step Time 4681 4681.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04827e+03 6.06793e+03 1.98923e+04 2.39089e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91054e+03 1.16655e+05 5.90369e+05 -4.12056e+06 9.82907e+03 Potential Pressure (bar) -3.37165e+06 -4.73406e+03 Step Time 4682 4682.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05127e+03 6.06965e+03 1.98923e+04 2.39065e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90998e+03 1.16656e+05 5.90377e+05 -4.12059e+06 9.82922e+03 Potential Pressure (bar) -3.37166e+06 -4.73444e+03 Step Time 4683 4683.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05142e+03 6.06815e+03 1.98924e+04 2.39088e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91061e+03 1.16654e+05 5.90386e+05 -4.12060e+06 9.82927e+03 Potential Pressure (bar) -3.37166e+06 -4.73372e+03 Step Time 4684 4684.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05656e+03 6.07079e+03 1.98923e+04 2.39056e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90981e+03 1.16656e+05 5.90393e+05 -4.12062e+06 9.82937e+03 Potential Pressure (bar) -3.37166e+06 -4.73431e+03 Step Time 4685 4685.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05814e+03 6.06878e+03 1.98924e+04 2.39089e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91074e+03 1.16654e+05 5.90402e+05 -4.12063e+06 9.82949e+03 Potential Pressure (bar) -3.37167e+06 -4.73336e+03 Step Time 4686 4686.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06716e+03 6.07296e+03 1.98924e+04 2.39045e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90960e+03 1.16656e+05 5.90410e+05 -4.12065e+06 9.82953e+03 Potential Pressure (bar) -3.37167e+06 -4.73432e+03 Step Time 4687 4687.00000 Step Time 4688 4688.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04592e+03 6.06800e+03 1.98924e+04 2.39072e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91026e+03 1.16655e+05 5.90414e+05 -4.12066e+06 9.82950e+03 Potential Pressure (bar) -3.37170e+06 -4.73348e+03 Step Time 4689 4689.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07750e+03 6.07465e+03 1.98924e+04 2.39019e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90935e+03 1.16656e+05 5.90464e+05 -4.12076e+06 9.83012e+03 Potential Pressure (bar) -3.37171e+06 -4.73359e+03 Step Time 4690 4690.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04789e+03 6.06790e+03 1.98925e+04 2.39058e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91030e+03 1.16654e+05 5.90469e+05 -4.12077e+06 9.83011e+03 Potential Pressure (bar) -3.37175e+06 -4.73246e+03 Step Time 4691 4691.00000 Step Time 4692 4692.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05392e+03 6.07013e+03 1.98925e+04 2.39037e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90970e+03 1.16655e+05 5.90479e+05 -4.12079e+06 9.83024e+03 Potential Pressure (bar) -3.37176e+06 -4.73283e+03 Step Time 4693 4693.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05106e+03 6.06810e+03 1.98925e+04 2.39063e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91039e+03 1.16654e+05 5.90487e+05 -4.12080e+06 9.83029e+03 Potential Pressure (bar) -3.37176e+06 -4.73204e+03 Step Time 4694 4694.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06060e+03 6.07155e+03 1.98925e+04 2.39028e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90953e+03 1.16655e+05 5.90495e+05 -4.12083e+06 9.83040e+03 Potential Pressure (bar) -3.37177e+06 -4.73273e+03 Step Time 4695 4695.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05819e+03 6.06874e+03 1.98926e+04 2.39068e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91053e+03 1.16653e+05 5.90503e+05 -4.12083e+06 9.83044e+03 Potential Pressure (bar) -3.37177e+06 -4.73168e+03 Step Time 4696 4696.00000 Step Time 4697 4697.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04685e+03 6.06848e+03 1.98926e+04 2.39043e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90991e+03 1.16654e+05 5.90507e+05 -4.12084e+06 9.83045e+03 Potential Pressure (bar) -3.37179e+06 -4.73209e+03 Step Time 4698 4698.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06511e+03 6.06952e+03 1.98926e+04 2.39069e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91058e+03 1.16653e+05 5.90535e+05 -4.12089e+06 9.83075e+03 Potential Pressure (bar) -3.37179e+06 -4.73108e+03 Step Time 4699 4699.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04991e+03 6.06928e+03 1.98926e+04 2.39030e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90970e+03 1.16655e+05 5.90539e+05 -4.12091e+06 9.83075e+03 Potential Pressure (bar) -3.37182e+06 -4.73169e+03 Step Time 4700 4700.00000 Step Time 4701 4701.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04946e+03 6.06798e+03 1.98926e+04 2.39049e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91021e+03 1.16654e+05 5.90547e+05 -4.12092e+06 9.83083e+03 Potential Pressure (bar) -3.37183e+06 -4.73109e+03 Step Time 4702 4702.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05348e+03 6.07007e+03 1.98926e+04 2.39022e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90956e+03 1.16655e+05 5.90555e+05 -4.12095e+06 9.83099e+03 Potential Pressure (bar) -3.37184e+06 -4.73156e+03 Step Time 4703 4703.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05366e+03 6.06830e+03 1.98927e+04 2.39050e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91030e+03 1.16653e+05 5.90563e+05 -4.12096e+06 9.83098e+03 Potential Pressure (bar) -3.37184e+06 -4.73069e+03 Step Time 4704 4704.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06054e+03 6.07155e+03 1.98927e+04 2.39016e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90937e+03 1.16655e+05 5.90571e+05 -4.12098e+06 9.83113e+03 Potential Pressure (bar) -3.37184e+06 -4.73145e+03 Step Time 4705 4705.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06267e+03 6.06920e+03 1.98927e+04 2.39056e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91045e+03 1.16653e+05 5.90579e+05 -4.12099e+06 9.83115e+03 Potential Pressure (bar) -3.37185e+06 -4.73034e+03 Step Time 4706 4706.00000 Step Time 4707 4707.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04661e+03 6.06835e+03 1.98927e+04 2.39028e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90978e+03 1.16654e+05 5.90583e+05 -4.12100e+06 9.83117e+03 Potential Pressure (bar) -3.37187e+06 -4.73076e+03 Step Time 4708 4708.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07119e+03 6.07015e+03 1.98928e+04 2.39050e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91047e+03 1.16652e+05 5.90627e+05 -4.12108e+06 9.83162e+03 Potential Pressure (bar) -3.37188e+06 -4.72949e+03 Step Time 4709 4709.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04953e+03 6.06913e+03 1.98928e+04 2.39014e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90951e+03 1.16654e+05 5.90631e+05 -4.12109e+06 9.83163e+03 Potential Pressure (bar) -3.37191e+06 -4.73013e+03 Step Time 4710 4710.00000 Step Time 4711 4711.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05143e+03 6.06809e+03 1.98928e+04 2.39033e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91007e+03 1.16653e+05 5.90641e+05 -4.12111e+06 9.83170e+03 Potential Pressure (bar) -3.37192e+06 -4.72946e+03 Step Time 4712 4712.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05312e+03 6.06996e+03 1.98928e+04 2.39004e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90938e+03 1.16654e+05 5.90647e+05 -4.12113e+06 9.83180e+03 Potential Pressure (bar) -3.37193e+06 -4.73000e+03 Step Time 4713 4713.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05687e+03 6.06857e+03 1.98928e+04 2.39033e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91017e+03 1.16653e+05 5.90657e+05 -4.12115e+06 9.83188e+03 Potential Pressure (bar) -3.37193e+06 -4.72911e+03 Step Time 4714 4714.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06050e+03 6.07156e+03 1.98928e+04 2.38996e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90918e+03 1.16654e+05 5.90664e+05 -4.12117e+06 9.83202e+03 Potential Pressure (bar) -3.37194e+06 -4.72994e+03 Step Time 4715 4715.00000 Step Time 4716 4716.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04654e+03 6.06796e+03 1.98928e+04 2.39016e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90975e+03 1.16653e+05 5.90669e+05 -4.12117e+06 9.83195e+03 Potential Pressure (bar) -3.37196e+06 -4.72924e+03 Step Time 4717 4717.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06763e+03 6.07281e+03 1.98929e+04 2.38987e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90899e+03 1.16654e+05 5.90699e+05 -4.12123e+06 9.83230e+03 Potential Pressure (bar) -3.37196e+06 -4.72949e+03 Step Time 4718 4718.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04846e+03 6.06791e+03 1.98929e+04 2.39015e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90982e+03 1.16653e+05 5.90704e+05 -4.12124e+06 9.83229e+03 Potential Pressure (bar) -3.37198e+06 -4.72852e+03 Step Time 4719 4719.00000 Step Time 4720 4720.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05126e+03 6.06948e+03 1.98929e+04 2.38994e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90930e+03 1.16654e+05 5.90712e+05 -4.12126e+06 9.83245e+03 Potential Pressure (bar) -3.37199e+06 -4.72887e+03 Step Time 4721 4721.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05113e+03 6.06807e+03 1.98930e+04 2.39016e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90989e+03 1.16652e+05 5.90720e+05 -4.12127e+06 9.83249e+03 Potential Pressure (bar) -3.37200e+06 -4.72818e+03 Step Time 4722 4722.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05587e+03 6.07049e+03 1.98929e+04 2.38984e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90914e+03 1.16654e+05 5.90727e+05 -4.12129e+06 9.83254e+03 Potential Pressure (bar) -3.37200e+06 -4.72873e+03 Step Time 4723 4723.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05686e+03 6.06858e+03 1.98930e+04 2.39018e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91001e+03 1.16652e+05 5.90736e+05 -4.12130e+06 9.83265e+03 Potential Pressure (bar) -3.37201e+06 -4.72784e+03 Step Time 4724 4724.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06507e+03 6.07241e+03 1.98930e+04 2.38976e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90894e+03 1.16654e+05 5.90743e+05 -4.12132e+06 9.83273e+03 Potential Pressure (bar) -3.37201e+06 -4.72868e+03 Step Time 4725 4725.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06910e+03 6.06985e+03 1.98930e+04 2.39022e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91020e+03 1.16652e+05 5.90751e+05 -4.12133e+06 9.83280e+03 Potential Pressure (bar) -3.37201e+06 -4.72741e+03 Step Time 4726 4726.00000 Step Time 4727 4727.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04700e+03 6.06838e+03 1.98930e+04 2.38990e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90942e+03 1.16653e+05 5.90755e+05 -4.12135e+06 9.83278e+03 Potential Pressure (bar) -3.37204e+06 -4.72790e+03 Step Time 4728 4728.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08058e+03 6.07125e+03 1.98931e+04 2.39030e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.91023e+03 1.16651e+05 5.90802e+05 -4.12143e+06 9.83315e+03 Potential Pressure (bar) -3.37205e+06 -4.72651e+03 Step Time 4729 4729.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05072e+03 6.06931e+03 1.98931e+04 2.38979e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90912e+03 1.16653e+05 5.90806e+05 -4.12145e+06 9.83315e+03 Potential Pressure (bar) -3.37209e+06 -4.72724e+03 Step Time 4730 4730.00000 Step Time 4731 4731.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05381e+03 6.06829e+03 1.98931e+04 2.38997e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90977e+03 1.16652e+05 5.90816e+05 -4.12146e+06 9.83328e+03 Potential Pressure (bar) -3.37209e+06 -4.72650e+03 Step Time 4732 4732.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05534e+03 6.07037e+03 1.98931e+04 2.38966e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90897e+03 1.16653e+05 5.90822e+05 -4.12148e+06 9.83337e+03 Potential Pressure (bar) -3.37210e+06 -4.72711e+03 Step Time 4733 4733.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06121e+03 6.06902e+03 1.98932e+04 2.38997e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90990e+03 1.16651e+05 5.90832e+05 -4.12149e+06 9.83344e+03 Potential Pressure (bar) -3.37210e+06 -4.72613e+03 Step Time 4734 4734.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06499e+03 6.07240e+03 1.98931e+04 2.38956e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90875e+03 1.16653e+05 5.90839e+05 -4.12151e+06 9.83353e+03 Potential Pressure (bar) -3.37210e+06 -4.72708e+03 Step Time 4735 4735.00000 Step Time 4736 4736.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04700e+03 6.06795e+03 1.98932e+04 2.38978e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90941e+03 1.16652e+05 5.90843e+05 -4.12152e+06 9.83352e+03 Potential Pressure (bar) -3.37212e+06 -4.72628e+03 Step Time 4737 4737.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07435e+03 6.07402e+03 1.98932e+04 2.38952e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90855e+03 1.16654e+05 5.90871e+05 -4.12158e+06 9.83389e+03 Potential Pressure (bar) -3.37213e+06 -4.72672e+03 Step Time 4738 4738.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04972e+03 6.06797e+03 1.98932e+04 2.38981e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90950e+03 1.16652e+05 5.90876e+05 -4.12158e+06 9.83378e+03 Potential Pressure (bar) -3.37216e+06 -4.72558e+03 Step Time 4739 4739.00000 Step Time 4740 4740.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05288e+03 6.06978e+03 1.98932e+04 2.38955e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90890e+03 1.16653e+05 5.90884e+05 -4.12160e+06 9.83387e+03 Potential Pressure (bar) -3.37216e+06 -4.72600e+03 Step Time 4741 4741.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05338e+03 6.06824e+03 1.98933e+04 2.38983e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90960e+03 1.16651e+05 5.90892e+05 -4.12162e+06 9.83399e+03 Potential Pressure (bar) -3.37217e+06 -4.72523e+03 Step Time 4742 4742.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05886e+03 6.07105e+03 1.98932e+04 2.38946e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90873e+03 1.16653e+05 5.90900e+05 -4.12164e+06 9.83408e+03 Potential Pressure (bar) -3.37217e+06 -4.72589e+03 Step Time 4743 4743.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06119e+03 6.06899e+03 1.98933e+04 2.38985e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90974e+03 1.16651e+05 5.90909e+05 -4.12165e+06 9.83405e+03 Potential Pressure (bar) -3.37217e+06 -4.72485e+03 Step Time 4744 4744.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07090e+03 6.07350e+03 1.98933e+04 2.38937e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90850e+03 1.16653e+05 5.90916e+05 -4.12167e+06 9.83420e+03 Potential Pressure (bar) -3.37218e+06 -4.72590e+03 Step Time 4745 4745.00000 Step Time 4746 4746.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04693e+03 6.06800e+03 1.98933e+04 2.38963e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90921e+03 1.16652e+05 5.90920e+05 -4.12167e+06 9.83414e+03 Potential Pressure (bar) -3.37221e+06 -4.72502e+03 Step Time 4747 4747.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08270e+03 6.07542e+03 1.98934e+04 2.38916e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90826e+03 1.16653e+05 5.90966e+05 -4.12177e+06 9.83457e+03 Potential Pressure (bar) -3.37222e+06 -4.72529e+03 Step Time 4748 4748.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04927e+03 6.06794e+03 1.98934e+04 2.38953e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90927e+03 1.16651e+05 5.90971e+05 -4.12177e+06 9.83455e+03 Potential Pressure (bar) -3.37225e+06 -4.72406e+03 Step Time 4749 4749.00000 Step Time 4750 4750.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05583e+03 6.07032e+03 1.98934e+04 2.38927e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90864e+03 1.16652e+05 5.90980e+05 -4.12180e+06 9.83469e+03 Potential Pressure (bar) -3.37226e+06 -4.72451e+03 Step Time 4751 4751.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05298e+03 6.06819e+03 1.98934e+04 2.38956e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90938e+03 1.16651e+05 5.90988e+05 -4.12180e+06 9.83469e+03 Potential Pressure (bar) -3.37226e+06 -4.72368e+03 Step Time 4752 4752.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06340e+03 6.07190e+03 1.98934e+04 2.38917e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90846e+03 1.16652e+05 5.90996e+05 -4.12183e+06 9.83483e+03 Potential Pressure (bar) -3.37226e+06 -4.72441e+03 Step Time 4753 4753.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06125e+03 6.06898e+03 1.98935e+04 2.38962e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90953e+03 1.16650e+05 5.91003e+05 -4.12184e+06 9.83490e+03 Potential Pressure (bar) -3.37227e+06 -4.72331e+03 Step Time 4754 4754.00000 Step Time 4755 4755.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04787e+03 6.06850e+03 1.98934e+04 2.38932e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90887e+03 1.16652e+05 5.91007e+05 -4.12185e+06 9.83487e+03 Potential Pressure (bar) -3.37229e+06 -4.72372e+03 Step Time 4756 4756.00000 Step Time 4757 4757.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05060e+03 6.06801e+03 1.98935e+04 2.38946e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90921e+03 1.16651e+05 5.91021e+05 -4.12188e+06 9.83499e+03 Potential Pressure (bar) -3.37230e+06 -4.72315e+03 Step Time 4758 4758.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04930e+03 6.06886e+03 1.98935e+04 2.38924e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90874e+03 1.16652e+05 5.91027e+05 -4.12189e+06 9.83504e+03 Potential Pressure (bar) -3.37231e+06 -4.72346e+03 Step Time 4759 4759.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05364e+03 6.06826e+03 1.98935e+04 2.38946e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90929e+03 1.16651e+05 5.91038e+05 -4.12191e+06 9.83504e+03 Potential Pressure (bar) -3.37231e+06 -4.72282e+03 Step Time 4760 4760.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05242e+03 6.06960e+03 1.98935e+04 2.38917e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90859e+03 1.16652e+05 5.91045e+05 -4.12192e+06 9.83517e+03 Potential Pressure (bar) -3.37232e+06 -4.72330e+03 Step Time 4761 4761.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05965e+03 6.06883e+03 1.98935e+04 2.38946e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90939e+03 1.16650e+05 5.91055e+05 -4.12194e+06 9.83523e+03 Potential Pressure (bar) -3.37232e+06 -4.72247e+03 Step Time 4762 4762.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05912e+03 6.07105e+03 1.98935e+04 2.38906e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90840e+03 1.16652e+05 5.91061e+05 -4.12196e+06 9.83531e+03 Potential Pressure (bar) -3.37233e+06 -4.72321e+03 Step Time 4763 4763.00000 Step Time 4764 4764.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04767e+03 6.06792e+03 1.98936e+04 2.38929e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90897e+03 1.16651e+05 5.91066e+05 -4.12196e+06 9.83533e+03 Potential Pressure (bar) -3.37235e+06 -4.72254e+03 Step Time 4765 4765.00000 Step Time 4766 4766.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05038e+03 6.06909e+03 1.98936e+04 2.38912e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90860e+03 1.16651e+05 5.91076e+05 -4.12199e+06 9.83534e+03 Potential Pressure (bar) -3.37236e+06 -4.72270e+03 Step Time 4767 4767.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04867e+03 6.06790e+03 1.98936e+04 2.38927e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90901e+03 1.16651e+05 5.91083e+05 -4.12200e+06 9.83542e+03 Potential Pressure (bar) -3.37236e+06 -4.72221e+03 Step Time 4768 4768.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05295e+03 6.06967e+03 1.98936e+04 2.38907e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90849e+03 1.16652e+05 5.91091e+05 -4.12202e+06 9.83552e+03 Potential Pressure (bar) -3.37237e+06 -4.72256e+03 Step Time 4769 4769.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05102e+03 6.06804e+03 1.98936e+04 2.38927e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90908e+03 1.16650e+05 5.91099e+05 -4.12203e+06 9.83559e+03 Potential Pressure (bar) -3.37238e+06 -4.72189e+03 Step Time 4770 4770.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05787e+03 6.07074e+03 1.98936e+04 2.38896e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90834e+03 1.16652e+05 5.91107e+05 -4.12205e+06 9.83566e+03 Potential Pressure (bar) -3.37238e+06 -4.72242e+03 Step Time 4771 4771.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05628e+03 6.06850e+03 1.98937e+04 2.38931e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90919e+03 1.16650e+05 5.91115e+05 -4.12206e+06 9.83574e+03 Potential Pressure (bar) -3.37239e+06 -4.72151e+03 Step Time 4772 4772.00000 Step Time 4773 4773.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04782e+03 6.06841e+03 1.98936e+04 2.38909e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90865e+03 1.16651e+05 5.91119e+05 -4.12207e+06 9.83575e+03 Potential Pressure (bar) -3.37240e+06 -4.72185e+03 Step Time 4774 4774.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06140e+03 6.06896e+03 1.98937e+04 2.38926e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90922e+03 1.16650e+05 5.91148e+05 -4.12212e+06 9.83593e+03 Potential Pressure (bar) -3.37241e+06 -4.72090e+03 Step Time 4775 4775.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05009e+03 6.06902e+03 1.98937e+04 2.38896e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90846e+03 1.16651e+05 5.91152e+05 -4.12214e+06 9.83600e+03 Potential Pressure (bar) -3.37243e+06 -4.72142e+03 Step Time 4776 4776.00000 Step Time 4777 4777.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04983e+03 6.06795e+03 1.98937e+04 2.38911e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90890e+03 1.16650e+05 5.91159e+05 -4.12215e+06 9.83604e+03 Potential Pressure (bar) -3.37244e+06 -4.72091e+03 Step Time 4778 4778.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05270e+03 6.06962e+03 1.98937e+04 2.38889e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90835e+03 1.16651e+05 5.91167e+05 -4.12217e+06 9.83610e+03 Potential Pressure (bar) -3.37245e+06 -4.72127e+03 Step Time 4779 4779.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05294e+03 6.06817e+03 1.98938e+04 2.38912e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90898e+03 1.16650e+05 5.91175e+05 -4.12218e+06 9.83612e+03 Potential Pressure (bar) -3.37245e+06 -4.72056e+03 Step Time 4780 4780.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05789e+03 6.07077e+03 1.98937e+04 2.38879e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90819e+03 1.16651e+05 5.91182e+05 -4.12220e+06 9.83621e+03 Potential Pressure (bar) -3.37246e+06 -4.72118e+03 Step Time 4781 4781.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05962e+03 6.06877e+03 1.98938e+04 2.38915e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90911e+03 1.16649e+05 5.91191e+05 -4.12221e+06 9.83628e+03 Potential Pressure (bar) -3.37246e+06 -4.72020e+03 Step Time 4782 4782.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06832e+03 6.07293e+03 1.98938e+04 2.38872e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90798e+03 1.16651e+05 5.91198e+05 -4.12224e+06 9.83633e+03 Potential Pressure (bar) -3.37246e+06 -4.72114e+03 Step Time 4783 4783.00000 Step Time 4784 4784.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04746e+03 6.06803e+03 1.98938e+04 2.38896e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90863e+03 1.16650e+05 5.91202e+05 -4.12224e+06 9.83634e+03 Potential Pressure (bar) -3.37249e+06 -4.72033e+03 Step Time 4785 4785.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07854e+03 6.07447e+03 1.98938e+04 2.38848e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90771e+03 1.16651e+05 5.91249e+05 -4.12233e+06 9.83670e+03 Potential Pressure (bar) -3.37250e+06 -4.72049e+03 Step Time 4786 4786.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04945e+03 6.06791e+03 1.98939e+04 2.38884e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90867e+03 1.16650e+05 5.91253e+05 -4.12234e+06 9.83675e+03 Potential Pressure (bar) -3.37253e+06 -4.71939e+03 Step Time 4787 4787.00000 Step Time 4788 4788.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05530e+03 6.07008e+03 1.98939e+04 2.38860e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90808e+03 1.16651e+05 5.91262e+05 -4.12236e+06 9.83677e+03 Potential Pressure (bar) -3.37254e+06 -4.71975e+03 Step Time 4789 4789.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05260e+03 6.06813e+03 1.98939e+04 2.38891e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90877e+03 1.16649e+05 5.91269e+05 -4.12237e+06 9.83681e+03 Potential Pressure (bar) -3.37255e+06 -4.71902e+03 Step Time 4790 4790.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06186e+03 6.07148e+03 1.98939e+04 2.38851e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90792e+03 1.16651e+05 5.91278e+05 -4.12239e+06 9.83690e+03 Potential Pressure (bar) -3.37255e+06 -4.71968e+03 Step Time 4791 4791.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05965e+03 6.06879e+03 1.98939e+04 2.38894e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90891e+03 1.16649e+05 5.91285e+05 -4.12240e+06 9.83698e+03 Potential Pressure (bar) -3.37256e+06 -4.71864e+03 Step Time 4792 4792.00000 Step Time 4793 4793.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04836e+03 6.06849e+03 1.98939e+04 2.38864e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90828e+03 1.16650e+05 5.91289e+05 -4.12242e+06 9.83695e+03 Potential Pressure (bar) -3.37258e+06 -4.71903e+03 Step Time 4794 4794.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06656e+03 6.06952e+03 1.98940e+04 2.38897e+02 -1.09408e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90897e+03 1.16649e+05 5.91316e+05 -4.12246e+06 9.83717e+03 Potential Pressure (bar) -3.37258e+06 -4.71809e+03 Step Time 4795 4795.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05137e+03 6.06927e+03 1.98940e+04 2.38852e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90807e+03 1.16650e+05 5.91320e+05 -4.12248e+06 9.83721e+03 Potential Pressure (bar) -3.37261e+06 -4.71868e+03 Step Time 4796 4796.00000 Step Time 4797 4797.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05102e+03 6.06801e+03 1.98940e+04 2.38872e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90857e+03 1.16649e+05 5.91328e+05 -4.12249e+06 9.83720e+03 Potential Pressure (bar) -3.37261e+06 -4.71807e+03 Step Time 4798 4798.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05485e+03 6.07006e+03 1.98940e+04 2.38846e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90793e+03 1.16650e+05 5.91336e+05 -4.12251e+06 9.83730e+03 Potential Pressure (bar) -3.37262e+06 -4.71851e+03 Step Time 4799 4799.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05518e+03 6.06836e+03 1.98940e+04 2.38872e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90867e+03 1.16649e+05 5.91343e+05 -4.12252e+06 9.83731e+03 Potential Pressure (bar) -3.37262e+06 -4.71772e+03 Step Time 4800 4800.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06180e+03 6.07152e+03 1.98940e+04 2.38835e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90776e+03 1.16650e+05 5.91351e+05 -4.12254e+06 9.83739e+03 Potential Pressure (bar) -3.37262e+06 -4.71843e+03 Step Time 4801 4801.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06412e+03 6.06923e+03 1.98941e+04 2.38876e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90883e+03 1.16648e+05 5.91359e+05 -4.12255e+06 9.83747e+03 Potential Pressure (bar) -3.37262e+06 -4.71737e+03 Step Time 4802 4802.00000 Step Time 4803 4803.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04814e+03 6.06836e+03 1.98941e+04 2.38846e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90816e+03 1.16649e+05 5.91362e+05 -4.12256e+06 9.83742e+03 Potential Pressure (bar) -3.37265e+06 -4.71779e+03 Step Time 4804 4804.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07252e+03 6.07016e+03 1.98942e+04 2.38879e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90884e+03 1.16648e+05 5.91406e+05 -4.12265e+06 9.83773e+03 Potential Pressure (bar) -3.37266e+06 -4.71655e+03 Step Time 4805 4805.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05099e+03 6.06914e+03 1.98941e+04 2.38835e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90790e+03 1.16650e+05 5.91410e+05 -4.12266e+06 9.83775e+03 Potential Pressure (bar) -3.37270e+06 -4.71716e+03 Step Time 4806 4806.00000 Step Time 4807 4807.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05296e+03 6.06814e+03 1.98942e+04 2.38852e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90845e+03 1.16649e+05 5.91419e+05 -4.12267e+06 9.83775e+03 Potential Pressure (bar) -3.37270e+06 -4.71652e+03 Step Time 4808 4808.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05449e+03 6.06996e+03 1.98942e+04 2.38823e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90776e+03 1.16650e+05 5.91425e+05 -4.12269e+06 9.83788e+03 Potential Pressure (bar) -3.37271e+06 -4.71703e+03 Step Time 4809 4809.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05836e+03 6.06863e+03 1.98942e+04 2.38853e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90856e+03 1.16648e+05 5.91434e+05 -4.12270e+06 9.83791e+03 Potential Pressure (bar) -3.37271e+06 -4.71617e+03 Step Time 4810 4810.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06176e+03 6.07152e+03 1.98942e+04 2.38812e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90758e+03 1.16650e+05 5.91441e+05 -4.12273e+06 9.83796e+03 Potential Pressure (bar) -3.37272e+06 -4.71697e+03 Step Time 4811 4811.00000 Step Time 4812 4812.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04809e+03 6.06800e+03 1.98942e+04 2.38831e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90814e+03 1.16649e+05 5.91445e+05 -4.12273e+06 9.83796e+03 Potential Pressure (bar) -3.37274e+06 -4.71629e+03 Step Time 4813 4813.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06880e+03 6.07278e+03 1.98942e+04 2.38808e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90740e+03 1.16650e+05 5.91472e+05 -4.12279e+06 9.83821e+03 Potential Pressure (bar) -3.37274e+06 -4.71661e+03 Step Time 4814 4814.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05002e+03 6.06795e+03 1.98943e+04 2.38833e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90821e+03 1.16648e+05 5.91478e+05 -4.12280e+06 9.83814e+03 Potential Pressure (bar) -3.37277e+06 -4.71565e+03 Step Time 4815 4815.00000 Step Time 4816 4816.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05267e+03 6.06949e+03 1.98943e+04 2.38810e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90770e+03 1.16649e+05 5.91485e+05 -4.12281e+06 9.83823e+03 Potential Pressure (bar) -3.37277e+06 -4.71598e+03 Step Time 4817 4817.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05268e+03 6.06812e+03 1.98943e+04 2.38832e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90828e+03 1.16648e+05 5.91493e+05 -4.12282e+06 9.83826e+03 Potential Pressure (bar) -3.37278e+06 -4.71529e+03 Step Time 4818 4818.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05719e+03 6.07049e+03 1.98943e+04 2.38802e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90754e+03 1.16649e+05 5.91501e+05 -4.12284e+06 9.83830e+03 Potential Pressure (bar) -3.37278e+06 -4.71585e+03 Step Time 4819 4819.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05838e+03 6.06860e+03 1.98943e+04 2.38835e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90840e+03 1.16648e+05 5.91509e+05 -4.12285e+06 9.83838e+03 Potential Pressure (bar) -3.37278e+06 -4.71497e+03 Step Time 4820 4820.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06622e+03 6.07238e+03 1.98943e+04 2.38793e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90735e+03 1.16650e+05 5.91516e+05 -4.12288e+06 9.83842e+03 Potential Pressure (bar) -3.37279e+06 -4.71583e+03 Step Time 4821 4821.00000 Step Time 4822 4822.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04808e+03 6.06806e+03 1.98943e+04 2.38815e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90796e+03 1.16648e+05 5.91519e+05 -4.12288e+06 9.83843e+03 Potential Pressure (bar) -3.37281e+06 -4.71507e+03 Step Time 4823 4823.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07508e+03 6.07381e+03 1.98944e+04 2.38781e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90711e+03 1.16650e+05 5.91566e+05 -4.12297e+06 9.83869e+03 Potential Pressure (bar) -3.37282e+06 -4.71518e+03 Step Time 4824 4824.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04976e+03 6.06794e+03 1.98944e+04 2.38809e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90799e+03 1.16648e+05 5.91570e+05 -4.12298e+06 9.83861e+03 Potential Pressure (bar) -3.37286e+06 -4.71413e+03 Step Time 4825 4825.00000 Step Time 4826 4826.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05494e+03 6.06994e+03 1.98944e+04 2.38784e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90744e+03 1.16649e+05 5.91579e+05 -4.12300e+06 9.83873e+03 Potential Pressure (bar) -3.37286e+06 -4.71449e+03 Step Time 4827 4827.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05242e+03 6.06810e+03 1.98945e+04 2.38803e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90807e+03 1.16648e+05 5.91586e+05 -4.12301e+06 9.83876e+03 Potential Pressure (bar) -3.37287e+06 -4.71377e+03 Step Time 4828 4828.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06065e+03 6.07117e+03 1.98945e+04 2.38771e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90728e+03 1.16649e+05 5.91594e+05 -4.12303e+06 9.83881e+03 Potential Pressure (bar) -3.37287e+06 -4.71440e+03 Step Time 4829 4829.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05845e+03 6.06861e+03 1.98945e+04 2.38807e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90820e+03 1.16647e+05 5.91602e+05 -4.12304e+06 9.83883e+03 Potential Pressure (bar) -3.37288e+06 -4.71343e+03 Step Time 4830 4830.00000 Step Time 4831 4831.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04892e+03 6.06849e+03 1.98945e+04 2.38781e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90763e+03 1.16648e+05 5.91605e+05 -4.12305e+06 9.83886e+03 Potential Pressure (bar) -3.37290e+06 -4.71380e+03 Step Time 4832 4832.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06433e+03 6.06923e+03 1.98946e+04 2.38806e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90825e+03 1.16647e+05 5.91631e+05 -4.12310e+06 9.83905e+03 Potential Pressure (bar) -3.37290e+06 -4.71291e+03 Step Time 4833 4833.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05158e+03 6.06920e+03 1.98945e+04 2.38771e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90742e+03 1.16648e+05 5.91635e+05 -4.12311e+06 9.83905e+03 Potential Pressure (bar) -3.37292e+06 -4.71346e+03 Step Time 4834 4834.00000 Step Time 4835 4835.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05109e+03 6.06802e+03 1.98946e+04 2.38787e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90789e+03 1.16647e+05 5.91643e+05 -4.12313e+06 9.83903e+03 Potential Pressure (bar) -3.37293e+06 -4.71288e+03 Step Time 4836 4836.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05460e+03 6.06991e+03 1.98946e+04 2.38764e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90730e+03 1.16648e+05 5.91650e+05 -4.12315e+06 9.83913e+03 Potential Pressure (bar) -3.37294e+06 -4.71329e+03 Step Time 4837 4837.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05464e+03 6.06828e+03 1.98946e+04 2.38788e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90798e+03 1.16647e+05 5.91658e+05 -4.12316e+06 9.83917e+03 Potential Pressure (bar) -3.37294e+06 -4.71256e+03 Step Time 4838 4838.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06063e+03 6.07120e+03 1.98946e+04 2.38756e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90713e+03 1.16648e+05 5.91665e+05 -4.12318e+06 9.83924e+03 Potential Pressure (bar) -3.37294e+06 -4.71323e+03 Step Time 4839 4839.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06227e+03 6.06899e+03 1.98946e+04 2.38787e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90812e+03 1.16647e+05 5.91673e+05 -4.12318e+06 9.83930e+03 Potential Pressure (bar) -3.37295e+06 -4.71220e+03 Step Time 4840 4840.00000 Step Time 4841 4841.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04873e+03 6.06839e+03 1.98946e+04 2.38763e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90750e+03 1.16648e+05 5.91677e+05 -4.12319e+06 9.83928e+03 Potential Pressure (bar) -3.37297e+06 -4.71260e+03 Step Time 4842 4842.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06951e+03 6.06982e+03 1.98947e+04 2.38783e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90814e+03 1.16646e+05 5.91718e+05 -4.12328e+06 9.83948e+03 Potential Pressure (bar) -3.37299e+06 -4.71140e+03 Step Time 4843 4843.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05123e+03 6.06908e+03 1.98947e+04 2.38747e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90725e+03 1.16648e+05 5.91722e+05 -4.12329e+06 9.83950e+03 Potential Pressure (bar) -3.37301e+06 -4.71199e+03 Step Time 4844 4844.00000 Step Time 4845 4845.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05279e+03 6.06814e+03 1.98947e+04 2.38763e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90776e+03 1.16647e+05 5.91731e+05 -4.12331e+06 9.83951e+03 Potential Pressure (bar) -3.37302e+06 -4.71139e+03 Step Time 4846 4846.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05430e+03 6.06981e+03 1.98947e+04 2.38740e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90712e+03 1.16648e+05 5.91737e+05 -4.12332e+06 9.83958e+03 Potential Pressure (bar) -3.37303e+06 -4.71186e+03 Step Time 4847 4847.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05738e+03 6.06855e+03 1.98948e+04 2.38762e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90786e+03 1.16646e+05 5.91745e+05 -4.12334e+06 9.83965e+03 Potential Pressure (bar) -3.37303e+06 -4.71106e+03 Step Time 4848 4848.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06061e+03 6.07117e+03 1.98947e+04 2.38729e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90694e+03 1.16648e+05 5.91752e+05 -4.12336e+06 9.83971e+03 Potential Pressure (bar) -3.37304e+06 -4.71179e+03 Step Time 4849 4849.00000 Step Time 4850 4850.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04868e+03 6.06806e+03 1.98948e+04 2.38748e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90746e+03 1.16647e+05 5.91756e+05 -4.12336e+06 9.83969e+03 Potential Pressure (bar) -3.37305e+06 -4.71116e+03 Step Time 4851 4851.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06663e+03 6.07229e+03 1.98948e+04 2.38714e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90678e+03 1.16648e+05 5.91783e+05 -4.12342e+06 9.83983e+03 Potential Pressure (bar) -3.37306e+06 -4.71142e+03 Step Time 4852 4852.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05030e+03 6.06800e+03 1.98948e+04 2.38740e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90753e+03 1.16647e+05 5.91788e+05 -4.12342e+06 9.83981e+03 Potential Pressure (bar) -3.37308e+06 -4.71053e+03 Step Time 4853 4853.00000 Step Time 4854 4854.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05270e+03 6.06942e+03 1.98948e+04 2.38719e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90705e+03 1.16647e+05 5.91795e+05 -4.12344e+06 9.83984e+03 Potential Pressure (bar) -3.37309e+06 -4.71084e+03 Step Time 4855 4855.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05257e+03 6.06812e+03 1.98949e+04 2.38741e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90759e+03 1.16646e+05 5.91803e+05 -4.12345e+06 9.83987e+03 Potential Pressure (bar) -3.37309e+06 -4.71021e+03 Step Time 4856 4856.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05662e+03 6.07030e+03 1.98948e+04 2.38715e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90690e+03 1.16647e+05 5.91810e+05 -4.12347e+06 9.83991e+03 Potential Pressure (bar) -3.37310e+06 -4.71072e+03 Step Time 4857 4857.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05742e+03 6.06853e+03 1.98949e+04 2.38743e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90770e+03 1.16646e+05 5.91818e+05 -4.12348e+06 9.84001e+03 Potential Pressure (bar) -3.37310e+06 -4.70988e+03 Step Time 4858 4858.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06448e+03 6.07194e+03 1.98949e+04 2.38703e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90672e+03 1.16648e+05 5.91825e+05 -4.12350e+06 9.83997e+03 Potential Pressure (bar) -3.37311e+06 -4.71066e+03 Step Time 4859 4859.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06779e+03 6.06959e+03 1.98949e+04 2.38744e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90787e+03 1.16645e+05 5.91833e+05 -4.12351e+06 9.84004e+03 Potential Pressure (bar) -3.37311e+06 -4.70951e+03 Step Time 4860 4860.00000 Step Time 4861 4861.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04909e+03 6.06846e+03 1.98949e+04 2.38714e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90715e+03 1.16647e+05 5.91836e+05 -4.12352e+06 9.84002e+03 Potential Pressure (bar) -3.37313e+06 -4.70996e+03 Step Time 4862 4862.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07751e+03 6.07082e+03 1.98950e+04 2.38745e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90788e+03 1.16645e+05 5.91881e+05 -4.12361e+06 9.84017e+03 Potential Pressure (bar) -3.37314e+06 -4.70868e+03 Step Time 4863 4863.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05225e+03 6.06929e+03 1.98950e+04 2.38699e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90687e+03 1.16647e+05 5.91885e+05 -4.12362e+06 9.84022e+03 Potential Pressure (bar) -3.37318e+06 -4.70937e+03 Step Time 4864 4864.00000 Step Time 4865 4865.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05488e+03 6.06832e+03 1.98950e+04 2.38715e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90746e+03 1.16646e+05 5.91893e+05 -4.12363e+06 9.84027e+03 Potential Pressure (bar) -3.37318e+06 -4.70870e+03 Step Time 4866 4866.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05620e+03 6.07020e+03 1.98950e+04 2.38686e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90673e+03 1.16647e+05 5.91899e+05 -4.12365e+06 9.84034e+03 Potential Pressure (bar) -3.37319e+06 -4.70923e+03 Step Time 4867 4867.00000 Step Time 4868 4868.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04896e+03 6.06809e+03 1.98950e+04 2.38702e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90714e+03 1.16646e+05 5.91904e+05 -4.12366e+06 9.84030e+03 Potential Pressure (bar) -3.37320e+06 -4.70872e+03 Step Time 4869 4869.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05998e+03 6.07095e+03 1.98951e+04 2.38675e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90659e+03 1.16647e+05 5.91926e+05 -4.12370e+06 9.84043e+03 Potential Pressure (bar) -3.37321e+06 -4.70891e+03 Step Time 4870 4870.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05013e+03 6.06805e+03 1.98951e+04 2.38696e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90719e+03 1.16646e+05 5.91930e+05 -4.12371e+06 9.84040e+03 Potential Pressure (bar) -3.37323e+06 -4.70822e+03 Step Time 4871 4871.00000 Step Time 4872 4872.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05128e+03 6.06905e+03 1.98951e+04 2.38680e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90680e+03 1.16646e+05 5.91937e+05 -4.12373e+06 9.84044e+03 Potential Pressure (bar) -3.37324e+06 -4.70843e+03 Step Time 4873 4873.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05167e+03 6.06810e+03 1.98951e+04 2.38695e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90724e+03 1.16646e+05 5.91946e+05 -4.12374e+06 9.84046e+03 Potential Pressure (bar) -3.37324e+06 -4.70790e+03 Step Time 4874 4874.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05374e+03 6.06963e+03 1.98951e+04 2.38671e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90668e+03 1.16647e+05 5.91952e+05 -4.12376e+06 9.84051e+03 Potential Pressure (bar) -3.37325e+06 -4.70832e+03 Step Time 4875 4875.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05490e+03 6.06835e+03 1.98951e+04 2.38696e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90732e+03 1.16645e+05 5.91960e+05 -4.12377e+06 9.84054e+03 Potential Pressure (bar) -3.37325e+06 -4.70757e+03 Step Time 4876 4876.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05866e+03 6.07073e+03 1.98951e+04 2.38661e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90653e+03 1.16647e+05 5.91967e+05 -4.12379e+06 9.84059e+03 Potential Pressure (bar) -3.37326e+06 -4.70819e+03 Step Time 4877 4877.00000 Step Time 4878 4878.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04897e+03 6.06817e+03 1.98952e+04 2.38677e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90698e+03 1.16646e+05 5.91971e+05 -4.12379e+06 9.84060e+03 Potential Pressure (bar) -3.37327e+06 -4.70766e+03 Step Time 4879 4879.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06346e+03 6.07162e+03 1.98952e+04 2.38644e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90634e+03 1.16647e+05 5.92004e+05 -4.12386e+06 9.84073e+03 Potential Pressure (bar) -3.37329e+06 -4.70771e+03 Step Time 4880 4880.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05002e+03 6.06806e+03 1.98952e+04 2.38671e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90700e+03 1.16645e+05 5.92008e+05 -4.12387e+06 9.84069e+03 Potential Pressure (bar) -3.37331e+06 -4.70696e+03 Step Time 4881 4881.00000 Step Time 4882 4882.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05255e+03 6.06933e+03 1.98952e+04 2.38654e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90659e+03 1.16646e+05 5.92016e+05 -4.12389e+06 9.84073e+03 Potential Pressure (bar) -3.37331e+06 -4.70720e+03 Step Time 4883 4883.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05157e+03 6.06811e+03 1.98953e+04 2.38669e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90705e+03 1.16645e+05 5.92023e+05 -4.12390e+06 9.84073e+03 Potential Pressure (bar) -3.37332e+06 -4.70664e+03 Step Time 4884 4884.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05565e+03 6.07004e+03 1.98953e+04 2.38643e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90647e+03 1.16646e+05 5.92031e+05 -4.12392e+06 9.84078e+03 Potential Pressure (bar) -3.37333e+06 -4.70707e+03 Step Time 4885 4885.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05498e+03 6.06836e+03 1.98953e+04 2.38670e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90714e+03 1.16645e+05 5.92038e+05 -4.12393e+06 9.84087e+03 Potential Pressure (bar) -3.37333e+06 -4.70635e+03 Step Time 4886 4886.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06172e+03 6.07134e+03 1.98953e+04 2.38634e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90630e+03 1.16646e+05 5.92045e+05 -4.12394e+06 9.84086e+03 Potential Pressure (bar) -3.37333e+06 -4.70697e+03 Step Time 4887 4887.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06238e+03 6.06907e+03 1.98953e+04 2.38671e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90729e+03 1.16644e+05 5.92052e+05 -4.12396e+06 9.84089e+03 Potential Pressure (bar) -3.37334e+06 -4.70599e+03 Step Time 4888 4888.00000 Step Time 4889 4889.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04957e+03 6.06853e+03 1.98953e+04 2.38645e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90667e+03 1.16646e+05 5.92056e+05 -4.12397e+06 9.84089e+03 Potential Pressure (bar) -3.37336e+06 -4.70635e+03 Step Time 4890 4890.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06944e+03 6.06986e+03 1.98954e+04 2.38666e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90731e+03 1.16644e+05 5.92091e+05 -4.12403e+06 9.84100e+03 Potential Pressure (bar) -3.37337e+06 -4.70530e+03 Step Time 4891 4891.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05216e+03 6.06926e+03 1.98954e+04 2.38627e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90643e+03 1.16646e+05 5.92095e+05 -4.12404e+06 9.84104e+03 Potential Pressure (bar) -3.37339e+06 -4.70590e+03 Step Time 4892 4892.00000 Step Time 4893 4893.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05323e+03 6.06822e+03 1.98954e+04 2.38644e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90693e+03 1.16645e+05 5.92103e+05 -4.12406e+06 9.84102e+03 Potential Pressure (bar) -3.37340e+06 -4.70530e+03 Step Time 4894 4894.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05529e+03 6.06999e+03 1.98954e+04 2.38619e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90630e+03 1.16646e+05 5.92109e+05 -4.12407e+06 9.84106e+03 Potential Pressure (bar) -3.37341e+06 -4.70576e+03 Step Time 4895 4895.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05769e+03 6.06861e+03 1.98954e+04 2.38642e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90703e+03 1.16644e+05 5.92117e+05 -4.12409e+06 9.84105e+03 Potential Pressure (bar) -3.37341e+06 -4.70497e+03 Step Time 4896 4896.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06169e+03 6.07136e+03 1.98954e+04 2.38609e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90613e+03 1.16646e+05 5.92123e+05 -4.12410e+06 9.84114e+03 Potential Pressure (bar) -3.37341e+06 -4.70571e+03 Step Time 4897 4897.00000 Step Time 4898 4898.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04935e+03 6.06819e+03 1.98955e+04 2.38629e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90665e+03 1.16645e+05 5.92127e+05 -4.12411e+06 9.84112e+03 Potential Pressure (bar) -3.37343e+06 -4.70508e+03 Step Time 4899 4899.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06783e+03 6.07246e+03 1.98955e+04 2.38597e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90595e+03 1.16646e+05 5.92157e+05 -4.12417e+06 9.84121e+03 Potential Pressure (bar) -3.37344e+06 -4.70530e+03 Step Time 4900 4900.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05087e+03 6.06811e+03 1.98955e+04 2.38625e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90670e+03 1.16644e+05 5.92161e+05 -4.12418e+06 9.84122e+03 Potential Pressure (bar) -3.37346e+06 -4.70442e+03 Step Time 4901 4901.00000 Step Time 4902 4902.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05369e+03 6.06960e+03 1.98955e+04 2.38605e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90622e+03 1.16645e+05 5.92168e+05 -4.12419e+06 9.84122e+03 Potential Pressure (bar) -3.37347e+06 -4.70472e+03 Step Time 4903 4903.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05302e+03 6.06823e+03 1.98955e+04 2.38623e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90677e+03 1.16644e+05 5.92176e+05 -4.12421e+06 9.84127e+03 Potential Pressure (bar) -3.37348e+06 -4.70409e+03 Step Time 4904 4904.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05769e+03 6.07049e+03 1.98955e+04 2.38593e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90608e+03 1.16645e+05 5.92183e+05 -4.12422e+06 9.84127e+03 Potential Pressure (bar) -3.37348e+06 -4.70462e+03 Step Time 4905 4905.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05773e+03 6.06862e+03 1.98956e+04 2.38623e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90686e+03 1.16644e+05 5.92190e+05 -4.12423e+06 9.84137e+03 Potential Pressure (bar) -3.37349e+06 -4.70379e+03 Step Time 4906 4906.00000 Step Time 4907 4907.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04970e+03 6.06853e+03 1.98956e+04 2.38600e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90637e+03 1.16645e+05 5.92194e+05 -4.12424e+06 9.84133e+03 Potential Pressure (bar) -3.37350e+06 -4.70413e+03 Step Time 4908 4908.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06229e+03 6.06909e+03 1.98957e+04 2.38615e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90688e+03 1.16643e+05 5.92229e+05 -4.12431e+06 9.84143e+03 Potential Pressure (bar) -3.37352e+06 -4.70311e+03 Step Time 4909 4909.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05146e+03 6.06906e+03 1.98956e+04 2.38583e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90617e+03 1.16645e+05 5.92233e+05 -4.12433e+06 9.84139e+03 Potential Pressure (bar) -3.37354e+06 -4.70360e+03 Step Time 4910 4910.00000 Step Time 4911 4911.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05196e+03 6.06818e+03 1.98957e+04 2.38597e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90657e+03 1.16644e+05 5.92241e+05 -4.12434e+06 9.84147e+03 Potential Pressure (bar) -3.37355e+06 -4.70307e+03 Step Time 4912 4912.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05352e+03 6.06958e+03 1.98957e+04 2.38577e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90606e+03 1.16645e+05 5.92247e+05 -4.12436e+06 9.84145e+03 Potential Pressure (bar) -3.37355e+06 -4.70345e+03 Step Time 4913 4913.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05480e+03 6.06837e+03 1.98957e+04 2.38597e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90664e+03 1.16644e+05 5.92255e+05 -4.12437e+06 9.84146e+03 Potential Pressure (bar) -3.37356e+06 -4.70277e+03 Step Time 4914 4914.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05771e+03 6.07053e+03 1.98957e+04 2.38567e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90591e+03 1.16645e+05 5.92262e+05 -4.12438e+06 9.84145e+03 Potential Pressure (bar) -3.37356e+06 -4.70336e+03 Step Time 4915 4915.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06070e+03 6.06892e+03 1.98957e+04 2.38599e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90676e+03 1.16643e+05 5.92270e+05 -4.12440e+06 9.84153e+03 Potential Pressure (bar) -3.37357e+06 -4.70244e+03 Step Time 4916 4916.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06626e+03 6.07234e+03 1.98957e+04 2.38555e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90571e+03 1.16645e+05 5.92276e+05 -4.12441e+06 9.84160e+03 Potential Pressure (bar) -3.37357e+06 -4.70330e+03 Step Time 4917 4917.00000 Step Time 4918 4918.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04967e+03 6.06824e+03 1.98957e+04 2.38577e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90631e+03 1.16644e+05 5.92280e+05 -4.12442e+06 9.84155e+03 Potential Pressure (bar) -3.37359e+06 -4.70259e+03 Step Time 4919 4919.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07455e+03 6.07378e+03 1.98958e+04 2.38543e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90552e+03 1.16645e+05 5.92311e+05 -4.12448e+06 9.84159e+03 Potential Pressure (bar) -3.37359e+06 -4.70293e+03 Step Time 4920 4920.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05163e+03 6.06819e+03 1.98958e+04 2.38570e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90638e+03 1.16644e+05 5.92316e+05 -4.12449e+06 9.84163e+03 Potential Pressure (bar) -3.37362e+06 -4.70189e+03 Step Time 4921 4921.00000 Step Time 4922 4922.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05553e+03 6.07003e+03 1.98958e+04 2.38546e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90583e+03 1.16644e+05 5.92324e+05 -4.12451e+06 9.84165e+03 Potential Pressure (bar) -3.37363e+06 -4.70228e+03 Step Time 4923 4923.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05449e+03 6.06837e+03 1.98959e+04 2.38574e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90646e+03 1.16643e+05 5.92330e+05 -4.12452e+06 9.84169e+03 Potential Pressure (bar) -3.37363e+06 -4.70158e+03 Step Time 4924 4924.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06085e+03 6.07119e+03 1.98958e+04 2.38542e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90567e+03 1.16645e+05 5.92338e+05 -4.12454e+06 9.84170e+03 Potential Pressure (bar) -3.37364e+06 -4.70219e+03 Step Time 4925 4925.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06074e+03 6.06893e+03 1.98959e+04 2.38577e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90659e+03 1.16643e+05 5.92345e+05 -4.12455e+06 9.84168e+03 Potential Pressure (bar) -3.37364e+06 -4.70128e+03 Step Time 4926 4926.00000 Step Time 4927 4927.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05014e+03 6.06866e+03 1.98959e+04 2.38551e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90601e+03 1.16644e+05 5.92348e+05 -4.12456e+06 9.84164e+03 Potential Pressure (bar) -3.37366e+06 -4.70162e+03 Step Time 4928 4928.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06678e+03 6.06960e+03 1.98960e+04 2.38570e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90662e+03 1.16642e+05 5.92379e+05 -4.12462e+06 9.84182e+03 Potential Pressure (bar) -3.37367e+06 -4.70063e+03 Step Time 4929 4929.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05247e+03 6.06933e+03 1.98959e+04 2.38531e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90580e+03 1.16644e+05 5.92383e+05 -4.12463e+06 9.84173e+03 Potential Pressure (bar) -3.37369e+06 -4.70123e+03 Step Time 4930 4930.00000 Step Time 4931 4931.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05304e+03 6.06830e+03 1.98960e+04 2.38546e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90626e+03 1.16643e+05 5.92391e+05 -4.12464e+06 9.84177e+03 Potential Pressure (bar) -3.37370e+06 -4.70067e+03 Step Time 4932 4932.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05524e+03 6.06999e+03 1.98960e+04 2.38523e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90567e+03 1.16644e+05 5.92397e+05 -4.12466e+06 9.84176e+03 Potential Pressure (bar) -3.37370e+06 -4.70111e+03 Step Time 4933 4933.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05679e+03 6.06859e+03 1.98960e+04 2.38546e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90635e+03 1.16643e+05 5.92405e+05 -4.12467e+06 9.84185e+03 Potential Pressure (bar) -3.37371e+06 -4.70034e+03 Step Time 4934 4934.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06086e+03 6.07124e+03 1.98960e+04 2.38513e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90550e+03 1.16644e+05 5.92411e+05 -4.12469e+06 9.84178e+03 Potential Pressure (bar) -3.37372e+06 -4.70102e+03 Step Time 4935 4935.00000 Step Time 4936 4936.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.04987e+03 6.06833e+03 1.98960e+04 2.38529e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90599e+03 1.16643e+05 5.92415e+05 -4.12470e+06 9.84180e+03 Potential Pressure (bar) -3.37373e+06 -4.70043e+03 Step Time 4937 4937.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06621e+03 6.07222e+03 1.98961e+04 2.38499e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90533e+03 1.16644e+05 5.92446e+05 -4.12476e+06 9.84190e+03 Potential Pressure (bar) -3.37375e+06 -4.70057e+03 Step Time 4938 4938.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05109e+03 6.06824e+03 1.98961e+04 2.38525e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90602e+03 1.16643e+05 5.92450e+05 -4.12477e+06 9.84188e+03 Potential Pressure (bar) -3.37377e+06 -4.69977e+03 Step Time 4939 4939.00000 Step Time 4940 4940.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05384e+03 6.06964e+03 1.98961e+04 2.38503e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90558e+03 1.16644e+05 5.92457e+05 -4.12478e+06 9.84188e+03 Potential Pressure (bar) -3.37377e+06 -4.70002e+03 Step Time 4941 4941.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05290e+03 6.06831e+03 1.98961e+04 2.38525e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90608e+03 1.16643e+05 5.92464e+05 -4.12479e+06 9.84192e+03 Potential Pressure (bar) -3.37377e+06 -4.69946e+03 Step Time 4942 4942.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05735e+03 6.07045e+03 1.98961e+04 2.38496e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90545e+03 1.16644e+05 5.92472e+05 -4.12481e+06 9.84196e+03 Potential Pressure (bar) -3.37378e+06 -4.69993e+03 Step Time 4943 4943.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05685e+03 6.06862e+03 1.98962e+04 2.38524e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90618e+03 1.16642e+05 5.92479e+05 -4.12482e+06 9.84193e+03 Potential Pressure (bar) -3.37379e+06 -4.69914e+03 Step Time 4944 4944.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06429e+03 6.07192e+03 1.98961e+04 2.38485e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90527e+03 1.16644e+05 5.92486e+05 -4.12484e+06 9.84198e+03 Potential Pressure (bar) -3.37379e+06 -4.69986e+03 Step Time 4945 4945.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06542e+03 6.06946e+03 1.98962e+04 2.38527e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90634e+03 1.16642e+05 5.92493e+05 -4.12485e+06 9.84202e+03 Potential Pressure (bar) -3.37379e+06 -4.69881e+03 Step Time 4946 4946.00000 Step Time 4947 4947.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05045e+03 6.06876e+03 1.98962e+04 2.38495e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90567e+03 1.16643e+05 5.92496e+05 -4.12486e+06 9.84198e+03 Potential Pressure (bar) -3.37381e+06 -4.69923e+03 Step Time 4948 4948.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07362e+03 6.07039e+03 1.98963e+04 2.38524e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90638e+03 1.16641e+05 5.92530e+05 -4.12492e+06 9.84209e+03 Potential Pressure (bar) -3.37382e+06 -4.69814e+03 Step Time 4949 4949.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05339e+03 6.06954e+03 1.98962e+04 2.38478e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90543e+03 1.16643e+05 5.92534e+05 -4.12494e+06 9.84207e+03 Potential Pressure (bar) -3.37385e+06 -4.69880e+03 Step Time 4950 4950.00000 Step Time 4951 4951.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05478e+03 6.06848e+03 1.98963e+04 2.38496e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90597e+03 1.16642e+05 5.92542e+05 -4.12495e+06 9.84208e+03 Potential Pressure (bar) -3.37385e+06 -4.69815e+03 Step Time 4952 4952.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05693e+03 6.07039e+03 1.98963e+04 2.38468e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90529e+03 1.16643e+05 5.92548e+05 -4.12496e+06 9.84209e+03 Potential Pressure (bar) -3.37386e+06 -4.69869e+03 Step Time 4953 4953.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05993e+03 6.06894e+03 1.98963e+04 2.38497e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90608e+03 1.16642e+05 5.92555e+05 -4.12497e+06 9.84205e+03 Potential Pressure (bar) -3.37386e+06 -4.69783e+03 Step Time 4954 4954.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06421e+03 6.07195e+03 1.98963e+04 2.38458e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90510e+03 1.16643e+05 5.92561e+05 -4.12499e+06 9.84215e+03 Potential Pressure (bar) -3.37386e+06 -4.69865e+03 Step Time 4955 4955.00000 Step Time 4956 4956.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05024e+03 6.06839e+03 1.98963e+04 2.38475e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90566e+03 1.16642e+05 5.92565e+05 -4.12500e+06 9.84211e+03 Potential Pressure (bar) -3.37388e+06 -4.69799e+03 Step Time 4957 4957.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07123e+03 6.07318e+03 1.98963e+04 2.38450e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90491e+03 1.16643e+05 5.92594e+05 -4.12506e+06 9.84217e+03 Potential Pressure (bar) -3.37389e+06 -4.69830e+03 Step Time 4958 4958.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05200e+03 6.06834e+03 1.98964e+04 2.38477e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90572e+03 1.16642e+05 5.92598e+05 -4.12506e+06 9.84215e+03 Potential Pressure (bar) -3.37392e+06 -4.69735e+03 Step Time 4959 4959.00000 Step Time 4960 4960.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05508e+03 6.06992e+03 1.98964e+04 2.38450e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90521e+03 1.16643e+05 5.92605e+05 -4.12508e+06 9.84209e+03 Potential Pressure (bar) -3.37392e+06 -4.69770e+03 Step Time 4961 4961.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05451e+03 6.06849e+03 1.98964e+04 2.38473e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90579e+03 1.16642e+05 5.92611e+05 -4.12510e+06 9.84216e+03 Potential Pressure (bar) -3.37393e+06 -4.69708e+03 Step Time 4962 4962.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05963e+03 6.07093e+03 1.98964e+04 2.38444e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90506e+03 1.16643e+05 5.92618e+05 -4.12511e+06 9.84219e+03 Potential Pressure (bar) -3.37393e+06 -4.69761e+03 Step Time 4963 4963.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05998e+03 6.06896e+03 1.98964e+04 2.38475e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90591e+03 1.16641e+05 5.92625e+05 -4.12512e+06 9.84221e+03 Potential Pressure (bar) -3.37394e+06 -4.69675e+03 Step Time 4964 4964.00000 Step Time 4965 4965.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05058e+03 6.06875e+03 1.98964e+04 2.38452e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90537e+03 1.16642e+05 5.92628e+05 -4.12513e+06 9.84214e+03 Potential Pressure (bar) -3.37395e+06 -4.69711e+03 Step Time 4966 4966.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06521e+03 6.06955e+03 1.98965e+04 2.38462e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90592e+03 1.16641e+05 5.92662e+05 -4.12520e+06 9.84227e+03 Potential Pressure (bar) -3.37397e+06 -4.69611e+03 Step Time 4967 4967.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05254e+03 6.06935e+03 1.98965e+04 2.38428e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90515e+03 1.16642e+05 5.92666e+05 -4.12521e+06 9.84221e+03 Potential Pressure (bar) -3.37399e+06 -4.69663e+03 Step Time 4968 4968.00000 Step Time 4969 4969.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05326e+03 6.06845e+03 1.98965e+04 2.38443e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90559e+03 1.16641e+05 5.92673e+05 -4.12522e+06 9.84224e+03 Potential Pressure (bar) -3.37399e+06 -4.69611e+03 Step Time 4970 4970.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05487e+03 6.06991e+03 1.98965e+04 2.38423e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90504e+03 1.16642e+05 5.92679e+05 -4.12524e+06 9.84224e+03 Potential Pressure (bar) -3.37400e+06 -4.69651e+03 Step Time 4971 4971.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05653e+03 6.06871e+03 1.98966e+04 2.38449e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90567e+03 1.16641e+05 5.92687e+05 -4.12525e+06 9.84224e+03 Potential Pressure (bar) -3.37400e+06 -4.69582e+03 Step Time 4972 4972.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05963e+03 6.07098e+03 1.98966e+04 2.38417e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90489e+03 1.16642e+05 5.92693e+05 -4.12526e+06 9.84228e+03 Potential Pressure (bar) -3.37401e+06 -4.69644e+03 Step Time 4973 4973.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06339e+03 6.06936e+03 1.98966e+04 2.38453e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90579e+03 1.16641e+05 5.92701e+05 -4.12527e+06 9.84224e+03 Potential Pressure (bar) -3.37401e+06 -4.69550e+03 Step Time 4974 4974.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06937e+03 6.07301e+03 1.98966e+04 2.38408e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90468e+03 1.16643e+05 5.92707e+05 -4.12529e+06 9.84230e+03 Potential Pressure (bar) -3.37401e+06 -4.69639e+03 Step Time 4975 4975.00000 Step Time 4976 4976.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05056e+03 6.06847e+03 1.98966e+04 2.38431e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90532e+03 1.16642e+05 5.92711e+05 -4.12530e+06 9.84225e+03 Potential Pressure (bar) -3.37404e+06 -4.69565e+03 Step Time 4977 4977.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07878e+03 6.07469e+03 1.98967e+04 2.38388e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90447e+03 1.16643e+05 5.92740e+05 -4.12536e+06 9.84238e+03 Potential Pressure (bar) -3.37404e+06 -4.69607e+03 Step Time 4978 4978.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05283e+03 6.06846e+03 1.98967e+04 2.38420e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90540e+03 1.16641e+05 5.92745e+05 -4.12536e+06 9.84229e+03 Potential Pressure (bar) -3.37407e+06 -4.69499e+03 Step Time 4979 4979.00000 Step Time 4980 4980.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05714e+03 6.07041e+03 1.98967e+04 2.38397e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90480e+03 1.16642e+05 5.92752e+05 -4.12538e+06 9.84235e+03 Potential Pressure (bar) -3.37408e+06 -4.69541e+03 Step Time 4981 4981.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05617e+03 6.06868e+03 1.98967e+04 2.38422e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90548e+03 1.16641e+05 5.92759e+05 -4.12539e+06 9.84231e+03 Potential Pressure (bar) -3.37408e+06 -4.69467e+03 Step Time 4982 4982.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06320e+03 6.07173e+03 1.98967e+04 2.38388e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90464e+03 1.16642e+05 5.92766e+05 -4.12541e+06 9.84236e+03 Potential Pressure (bar) -3.37408e+06 -4.69534e+03 Step Time 4983 4983.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06340e+03 6.06937e+03 1.98968e+04 2.38427e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90561e+03 1.16640e+05 5.92773e+05 -4.12542e+06 9.84233e+03 Potential Pressure (bar) -3.37408e+06 -4.69437e+03 Step Time 4984 4984.00000 Step Time 4985 4985.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05102e+03 6.06892e+03 1.98967e+04 2.38400e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90500e+03 1.16641e+05 5.92776e+05 -4.12543e+06 9.84230e+03 Potential Pressure (bar) -3.37410e+06 -4.69476e+03 Step Time 4986 4986.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07033e+03 6.07016e+03 1.98968e+04 2.38419e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90568e+03 1.16640e+05 5.92806e+05 -4.12549e+06 9.84237e+03 Potential Pressure (bar) -3.37411e+06 -4.69373e+03 Step Time 4987 4987.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05363e+03 6.06967e+03 1.98968e+04 2.38382e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90478e+03 1.16642e+05 5.92810e+05 -4.12550e+06 9.84236e+03 Potential Pressure (bar) -3.37414e+06 -4.69436e+03 Step Time 4988 4988.00000 Step Time 4989 4989.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05446e+03 6.06856e+03 1.98969e+04 2.38397e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90528e+03 1.16641e+05 5.92818e+05 -4.12551e+06 9.84229e+03 Potential Pressure (bar) -3.37414e+06 -4.69378e+03 Step Time 4990 4990.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05677e+03 6.07042e+03 1.98968e+04 2.38372e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90464e+03 1.16642e+05 5.92824e+05 -4.12553e+06 9.84230e+03 Potential Pressure (bar) -3.37415e+06 -4.69427e+03 Step Time 4991 4991.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05879e+03 6.06893e+03 1.98969e+04 2.38395e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90537e+03 1.16640e+05 5.92831e+05 -4.12554e+06 9.84240e+03 Potential Pressure (bar) -3.37415e+06 -4.69346e+03 Step Time 4992 4992.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06315e+03 6.07179e+03 1.98969e+04 2.38361e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90447e+03 1.16642e+05 5.92837e+05 -4.12556e+06 9.84237e+03 Potential Pressure (bar) -3.37416e+06 -4.69421e+03 Step Time 4993 4993.00000 Step Time 4994 4994.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05073e+03 6.06855e+03 1.98969e+04 2.38380e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90499e+03 1.16641e+05 5.92841e+05 -4.12556e+06 9.84236e+03 Potential Pressure (bar) -3.37417e+06 -4.69358e+03 Step Time 4995 4995.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06930e+03 6.07292e+03 1.98969e+04 2.38345e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90429e+03 1.16642e+05 5.92870e+05 -4.12562e+06 9.84238e+03 Potential Pressure (bar) -3.37418e+06 -4.69385e+03 Step Time 4996 4996.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05216e+03 6.06850e+03 1.98970e+04 2.38377e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90504e+03 1.16640e+05 5.92874e+05 -4.12563e+06 9.84236e+03 Potential Pressure (bar) -3.37420e+06 -4.69295e+03 Step Time 4997 4997.00000 Step Time 4998 4998.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05516e+03 6.07003e+03 1.98970e+04 2.38354e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90457e+03 1.16641e+05 5.92881e+05 -4.12565e+06 9.84235e+03 Potential Pressure (bar) -3.37421e+06 -4.69327e+03 Step Time 4999 4999.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05423e+03 6.06860e+03 1.98970e+04 2.38374e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90510e+03 1.16640e+05 5.92887e+05 -4.12565e+06 9.84235e+03 Potential Pressure (bar) -3.37421e+06 -4.69268e+03 Step Time 5000 5000.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05916e+03 6.07093e+03 1.98970e+04 2.38343e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90442e+03 1.16641e+05 5.92894e+05 -4.12567e+06 9.84238e+03 Potential Pressure (bar) -3.37422e+06 -4.69323e+03 Step Time 5001 5001.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05884e+03 6.06896e+03 1.98970e+04 2.38375e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90521e+03 1.16640e+05 5.92901e+05 -4.12568e+06 9.84242e+03 Potential Pressure (bar) -3.37422e+06 -4.69237e+03 Step Time 5002 5002.00000 Step Time 5003 5003.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05113e+03 6.06894e+03 1.98970e+04 2.38353e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90471e+03 1.16641e+05 5.92904e+05 -4.12569e+06 9.84237e+03 Potential Pressure (bar) -3.37424e+06 -4.69270e+03 Step Time 5004 5004.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06328e+03 6.06946e+03 1.98971e+04 2.38366e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90523e+03 1.16639e+05 5.92935e+05 -4.12575e+06 9.84242e+03 Potential Pressure (bar) -3.37425e+06 -4.69178e+03 Step Time 5005 5005.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05288e+03 6.06947e+03 1.98971e+04 2.38334e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90452e+03 1.16641e+05 5.92938e+05 -4.12576e+06 9.84238e+03 Potential Pressure (bar) -3.37427e+06 -4.69228e+03 Step Time 5006 5006.00000 Step Time 5007 5007.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05323e+03 6.06858e+03 1.98971e+04 2.38347e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90491e+03 1.16640e+05 5.92945e+05 -4.12578e+06 9.84234e+03 Potential Pressure (bar) -3.37428e+06 -4.69179e+03 Step Time 5008 5008.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05496e+03 6.06999e+03 1.98971e+04 2.38325e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90441e+03 1.16641e+05 5.92951e+05 -4.12579e+06 9.84239e+03 Potential Pressure (bar) -3.37428e+06 -4.69215e+03 Step Time 5009 5009.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05597e+03 6.06878e+03 1.98971e+04 2.38348e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90498e+03 1.16640e+05 5.92959e+05 -4.12580e+06 9.84236e+03 Potential Pressure (bar) -3.37429e+06 -4.69149e+03 Step Time 5010 5010.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05916e+03 6.07093e+03 1.98971e+04 2.38318e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90425e+03 1.16641e+05 5.92965e+05 -4.12582e+06 9.84232e+03 Potential Pressure (bar) -3.37429e+06 -4.69206e+03 Step Time 5011 5011.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06176e+03 6.06930e+03 1.98972e+04 2.38351e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90510e+03 1.16639e+05 5.92972e+05 -4.12582e+06 9.84238e+03 Potential Pressure (bar) -3.37429e+06 -4.69120e+03 Step Time 5012 5012.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06767e+03 6.07274e+03 1.98971e+04 2.38308e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90405e+03 1.16641e+05 5.92978e+05 -4.12585e+06 9.84242e+03 Potential Pressure (bar) -3.37430e+06 -4.69207e+03 Step Time 5013 5013.00000 Step Time 5014 5014.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05102e+03 6.06867e+03 1.98972e+04 2.38328e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90466e+03 1.16640e+05 5.92982e+05 -4.12585e+06 9.84242e+03 Potential Pressure (bar) -3.37432e+06 -4.69135e+03 Step Time 5015 5015.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07591e+03 6.07413e+03 1.98972e+04 2.38294e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90384e+03 1.16641e+05 5.93013e+05 -4.12592e+06 9.84237e+03 Potential Pressure (bar) -3.37433e+06 -4.69171e+03 Step Time 5016 5016.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05290e+03 6.06861e+03 1.98973e+04 2.38326e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90471e+03 1.16639e+05 5.93017e+05 -4.12592e+06 9.84234e+03 Potential Pressure (bar) -3.37436e+06 -4.69071e+03 Step Time 5017 5017.00000 Step Time 5018 5018.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05696e+03 6.07044e+03 1.98973e+04 2.38299e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90417e+03 1.16640e+05 5.93024e+05 -4.12594e+06 9.84240e+03 Potential Pressure (bar) -3.37436e+06 -4.69107e+03 Step Time 5019 5019.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05569e+03 6.06878e+03 1.98973e+04 2.38323e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90480e+03 1.16639e+05 5.93031e+05 -4.12595e+06 9.84236e+03 Potential Pressure (bar) -3.37437e+06 -4.69040e+03 Step Time 5020 5020.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06229e+03 6.07160e+03 1.98973e+04 2.38288e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90402e+03 1.16640e+05 5.93037e+05 -4.12597e+06 9.84239e+03 Potential Pressure (bar) -3.37437e+06 -4.69102e+03 Step Time 5021 5021.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06181e+03 6.06933e+03 1.98973e+04 2.38323e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90493e+03 1.16639e+05 5.93044e+05 -4.12598e+06 9.84238e+03 Potential Pressure (bar) -3.37437e+06 -4.69008e+03 Step Time 5022 5022.00000 Step Time 5023 5023.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05154e+03 6.06909e+03 1.98973e+04 2.38297e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90435e+03 1.16640e+05 5.93047e+05 -4.12598e+06 9.84232e+03 Potential Pressure (bar) -3.37439e+06 -4.69046e+03 Step Time 5024 5024.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06778e+03 6.06996e+03 1.98974e+04 2.38320e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90498e+03 1.16638e+05 5.93074e+05 -4.12604e+06 9.84234e+03 Potential Pressure (bar) -3.37440e+06 -4.68952e+03 Step Time 5025 5025.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05387e+03 6.06976e+03 1.98974e+04 2.38285e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90415e+03 1.16640e+05 5.93078e+05 -4.12605e+06 9.84236e+03 Potential Pressure (bar) -3.37442e+06 -4.69012e+03 Step Time 5026 5026.00000 Step Time 5027 5027.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05427e+03 6.06872e+03 1.98974e+04 2.38301e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90461e+03 1.16639e+05 5.93086e+05 -4.12606e+06 9.84229e+03 Potential Pressure (bar) -3.37443e+06 -4.68956e+03 Step Time 5028 5028.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05665e+03 6.07042e+03 1.98974e+04 2.38277e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90402e+03 1.16640e+05 5.93091e+05 -4.12608e+06 9.84234e+03 Potential Pressure (bar) -3.37443e+06 -4.69000e+03 Step Time 5029 5029.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05794e+03 6.06901e+03 1.98974e+04 2.38300e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90469e+03 1.16639e+05 5.93098e+05 -4.12609e+06 9.84231e+03 Potential Pressure (bar) -3.37444e+06 -4.68927e+03 Step Time 5030 5030.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06224e+03 6.07165e+03 1.98974e+04 2.38265e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90386e+03 1.16640e+05 5.93105e+05 -4.12611e+06 9.84232e+03 Potential Pressure (bar) -3.37444e+06 -4.68994e+03 Step Time 5031 5031.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06565e+03 6.06976e+03 1.98975e+04 2.38303e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90483e+03 1.16638e+05 5.93112e+05 -4.12612e+06 9.84232e+03 Potential Pressure (bar) -3.37444e+06 -4.68894e+03 Step Time 5032 5032.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07360e+03 6.07400e+03 1.98975e+04 2.38255e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90364e+03 1.16640e+05 5.93117e+05 -4.12614e+06 9.84237e+03 Potential Pressure (bar) -3.37444e+06 -4.68998e+03 Step Time 5033 5033.00000 Step Time 5034 5034.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05133e+03 6.06876e+03 1.98975e+04 2.38280e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90432e+03 1.16639e+05 5.93120e+05 -4.12614e+06 9.84235e+03 Potential Pressure (bar) -3.37447e+06 -4.68915e+03 Step Time 5035 5035.00000 Step Time 5036 5036.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05854e+03 6.07078e+03 1.98975e+04 2.38257e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90386e+03 1.16640e+05 5.93136e+05 -4.12617e+06 9.84230e+03 Potential Pressure (bar) -3.37448e+06 -4.68933e+03 Step Time 5037 5037.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05219e+03 6.06867e+03 1.98975e+04 2.38276e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90436e+03 1.16639e+05 5.93141e+05 -4.12618e+06 9.84228e+03 Potential Pressure (bar) -3.37449e+06 -4.68876e+03 Step Time 5038 5038.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06310e+03 6.07179e+03 1.98975e+04 2.38246e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90372e+03 1.16640e+05 5.93152e+05 -4.12621e+06 9.84227e+03 Potential Pressure (bar) -3.37449e+06 -4.68920e+03 Step Time 5039 5039.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05477e+03 6.06879e+03 1.98976e+04 2.38275e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90445e+03 1.16638e+05 5.93157e+05 -4.12621e+06 9.84227e+03 Potential Pressure (bar) -3.37451e+06 -4.68842e+03 Step Time 5040 5040.00000 Step Time 5041 5041.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05300e+03 6.06956e+03 1.98976e+04 2.38255e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90399e+03 1.16639e+05 5.93162e+05 -4.12623e+06 9.84228e+03 Potential Pressure (bar) -3.37452e+06 -4.68873e+03 Step Time 5042 5042.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05764e+03 6.06899e+03 1.98976e+04 2.38275e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90450e+03 1.16638e+05 5.93172e+05 -4.12624e+06 9.84228e+03 Potential Pressure (bar) -3.37452e+06 -4.68811e+03 Step Time 5043 5043.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05564e+03 6.07022e+03 1.98976e+04 2.38244e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90385e+03 1.16639e+05 5.93176e+05 -4.12626e+06 9.84229e+03 Potential Pressure (bar) -3.37453e+06 -4.68862e+03 Step Time 5044 5044.00000 Step Time 5045 5045.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05175e+03 6.06873e+03 1.98976e+04 2.38258e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90422e+03 1.16639e+05 5.93181e+05 -4.12626e+06 9.84226e+03 Potential Pressure (bar) -3.37454e+06 -4.68816e+03 Step Time 5046 5046.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05829e+03 6.07078e+03 1.98976e+04 2.38234e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90373e+03 1.16639e+05 5.93192e+05 -4.12630e+06 9.84230e+03 Potential Pressure (bar) -3.37455e+06 -4.68844e+03 Step Time 5047 5047.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05312e+03 6.06874e+03 1.98977e+04 2.38254e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90428e+03 1.16638e+05 5.93197e+05 -4.12630e+06 9.84226e+03 Potential Pressure (bar) -3.37455e+06 -4.68787e+03 Step Time 5048 5048.00000 Step Time 5049 5049.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05244e+03 6.06940e+03 1.98976e+04 2.38239e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90393e+03 1.16639e+05 5.93202e+05 -4.12631e+06 9.84224e+03 Potential Pressure (bar) -3.37456e+06 -4.68809e+03 Step Time 5050 5050.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05466e+03 6.06882e+03 1.98977e+04 2.38255e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90430e+03 1.16638e+05 5.93212e+05 -4.12633e+06 9.84228e+03 Potential Pressure (bar) -3.37457e+06 -4.68760e+03 Step Time 5051 5051.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05400e+03 6.06983e+03 1.98977e+04 2.38231e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90381e+03 1.16639e+05 5.93217e+05 -4.12634e+06 9.84226e+03 Potential Pressure (bar) -3.37458e+06 -4.68793e+03 Step Time 5052 5052.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05768e+03 6.06904e+03 1.98977e+04 2.38254e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90437e+03 1.16638e+05 5.93226e+05 -4.12636e+06 9.84224e+03 Potential Pressure (bar) -3.37458e+06 -4.68732e+03 Step Time 5053 5053.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05736e+03 6.07062e+03 1.98977e+04 2.38223e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90367e+03 1.16639e+05 5.93230e+05 -4.12637e+06 9.84225e+03 Potential Pressure (bar) -3.37459e+06 -4.68784e+03 Step Time 5054 5054.00000 Step Time 5055 5055.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05168e+03 6.06879e+03 1.98977e+04 2.38236e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90406e+03 1.16638e+05 5.93235e+05 -4.12638e+06 9.84221e+03 Potential Pressure (bar) -3.37460e+06 -4.68737e+03 Step Time 5056 5056.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06065e+03 6.07131e+03 1.98977e+04 2.38210e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90354e+03 1.16639e+05 5.93249e+05 -4.12641e+06 9.84220e+03 Potential Pressure (bar) -3.37460e+06 -4.68764e+03 Step Time 5057 5057.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05296e+03 6.06879e+03 1.98978e+04 2.38230e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90412e+03 1.16638e+05 5.93254e+05 -4.12641e+06 9.84217e+03 Potential Pressure (bar) -3.37461e+06 -4.68703e+03 Step Time 5058 5058.00000 Step Time 5059 5059.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05323e+03 6.06960e+03 1.98978e+04 2.38216e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90375e+03 1.16639e+05 5.93259e+05 -4.12643e+06 9.84223e+03 Potential Pressure (bar) -3.37462e+06 -4.68723e+03 Step Time 5060 5060.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05453e+03 6.06886e+03 1.98978e+04 2.38231e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90416e+03 1.16638e+05 5.93267e+05 -4.12644e+06 9.84218e+03 Potential Pressure (bar) -3.37463e+06 -4.68675e+03 Step Time 5061 5061.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05526e+03 6.07013e+03 1.98978e+04 2.38211e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90363e+03 1.16639e+05 5.93272e+05 -4.12646e+06 9.84220e+03 Potential Pressure (bar) -3.37463e+06 -4.68711e+03 Step Time 5062 5062.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05770e+03 6.06911e+03 1.98978e+04 2.38236e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90423e+03 1.16638e+05 5.93280e+05 -4.12647e+06 9.84223e+03 Potential Pressure (bar) -3.37463e+06 -4.68646e+03 Step Time 5063 5063.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05948e+03 6.07108e+03 1.98978e+04 2.38202e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90348e+03 1.16639e+05 5.93285e+05 -4.12648e+06 9.84225e+03 Potential Pressure (bar) -3.37464e+06 -4.68701e+03 Step Time 5064 5064.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06424e+03 6.06974e+03 1.98979e+04 2.38235e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90435e+03 1.16637e+05 5.93293e+05 -4.12649e+06 9.84224e+03 Potential Pressure (bar) -3.37464e+06 -4.68616e+03 Step Time 5065 5065.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06820e+03 6.07292e+03 1.98978e+04 2.38192e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90329e+03 1.16639e+05 5.93299e+05 -4.12651e+06 9.84220e+03 Potential Pressure (bar) -3.37464e+06 -4.68703e+03 Step Time 5066 5066.00000 Step Time 5067 5067.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05178e+03 6.06886e+03 1.98979e+04 2.38215e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90390e+03 1.16638e+05 5.93302e+05 -4.12651e+06 9.84213e+03 Potential Pressure (bar) -3.37467e+06 -4.68631e+03 Step Time 5068 5068.00000 Step Time 5069 5069.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05670e+03 6.07044e+03 1.98979e+04 2.38198e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90349e+03 1.16639e+05 5.93314e+05 -4.12654e+06 9.84215e+03 Potential Pressure (bar) -3.37467e+06 -4.68649e+03 Step Time 5070 5070.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05266e+03 6.06882e+03 1.98979e+04 2.38212e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90394e+03 1.16638e+05 5.93318e+05 -4.12655e+06 9.84212e+03 Potential Pressure (bar) -3.37468e+06 -4.68596e+03 Step Time 5071 5071.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06013e+03 6.07122e+03 1.98979e+04 2.38187e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90337e+03 1.16639e+05 5.93328e+05 -4.12657e+06 9.84213e+03 Potential Pressure (bar) -3.37468e+06 -4.68636e+03 Step Time 5072 5072.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05499e+03 6.06892e+03 1.98979e+04 2.38211e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90401e+03 1.16637e+05 5.93333e+05 -4.12658e+06 9.84211e+03 Potential Pressure (bar) -3.37470e+06 -4.68569e+03 Step Time 5073 5073.00000 Step Time 5074 5074.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05266e+03 6.06948e+03 1.98979e+04 2.38192e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90360e+03 1.16638e+05 5.93337e+05 -4.12659e+06 9.84212e+03 Potential Pressure (bar) -3.37470e+06 -4.68594e+03 Step Time 5075 5075.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05747e+03 6.06910e+03 1.98980e+04 2.38209e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90404e+03 1.16637e+05 5.93349e+05 -4.12661e+06 9.84208e+03 Potential Pressure (bar) -3.37471e+06 -4.68538e+03 Step Time 5076 5076.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05454e+03 6.07000e+03 1.98980e+04 2.38184e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90347e+03 1.16638e+05 5.93354e+05 -4.12662e+06 9.84205e+03 Potential Pressure (bar) -3.37472e+06 -4.68579e+03 Step Time 5077 5077.00000 Step Time 5078 5078.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05224e+03 6.06884e+03 1.98980e+04 2.38197e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90379e+03 1.16638e+05 5.93358e+05 -4.12663e+06 9.84211e+03 Potential Pressure (bar) -3.37473e+06 -4.68541e+03 Step Time 5079 5079.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05650e+03 6.07045e+03 1.98980e+04 2.38175e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90337e+03 1.16638e+05 5.93367e+05 -4.12665e+06 9.84207e+03 Potential Pressure (bar) -3.37473e+06 -4.68566e+03 Step Time 5080 5080.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05352e+03 6.06885e+03 1.98980e+04 2.38193e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90385e+03 1.16637e+05 5.93373e+05 -4.12666e+06 9.84207e+03 Potential Pressure (bar) -3.37474e+06 -4.68509e+03 Step Time 5081 5081.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06013e+03 6.07128e+03 1.98980e+04 2.38167e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90324e+03 1.16638e+05 5.93381e+05 -4.12668e+06 9.84206e+03 Potential Pressure (bar) -3.37474e+06 -4.68554e+03 Step Time 5082 5082.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05662e+03 6.06906e+03 1.98980e+04 2.38192e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90393e+03 1.16637e+05 5.93386e+05 -4.12669e+06 9.84201e+03 Potential Pressure (bar) -3.37475e+06 -4.68479e+03 Step Time 5083 5083.00000 Step Time 5084 5084.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05245e+03 6.06942e+03 1.98980e+04 2.38174e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90349e+03 1.16638e+05 5.93390e+05 -4.12670e+06 9.84203e+03 Potential Pressure (bar) -3.37476e+06 -4.68508e+03 Step Time 5085 5085.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05977e+03 6.06932e+03 1.98981e+04 2.38189e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90396e+03 1.16637e+05 5.93405e+05 -4.12673e+06 9.84206e+03 Potential Pressure (bar) -3.37477e+06 -4.68445e+03 Step Time 5086 5086.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05430e+03 6.06996e+03 1.98981e+04 2.38164e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90334e+03 1.16638e+05 5.93409e+05 -4.12674e+06 9.84198e+03 Potential Pressure (bar) -3.37478e+06 -4.68489e+03 Step Time 5087 5087.00000 Step Time 5088 5088.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05289e+03 6.06887e+03 1.98981e+04 2.38176e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90369e+03 1.16637e+05 5.93415e+05 -4.12675e+06 9.84198e+03 Potential Pressure (bar) -3.37479e+06 -4.68447e+03 Step Time 5089 5089.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05630e+03 6.07045e+03 1.98981e+04 2.38156e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90323e+03 1.16638e+05 5.93422e+05 -4.12677e+06 9.84196e+03 Potential Pressure (bar) -3.37479e+06 -4.68477e+03 Step Time 5090 5090.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05468e+03 6.06894e+03 1.98981e+04 2.38174e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90375e+03 1.16637e+05 5.93428e+05 -4.12678e+06 9.84198e+03 Potential Pressure (bar) -3.37480e+06 -4.68417e+03 Step Time 5091 5091.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06013e+03 6.07132e+03 1.98981e+04 2.38148e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90310e+03 1.16638e+05 5.93435e+05 -4.12679e+06 9.84193e+03 Potential Pressure (bar) -3.37480e+06 -4.68469e+03 Step Time 5092 5092.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05869e+03 6.06925e+03 1.98982e+04 2.38174e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90385e+03 1.16637e+05 5.93441e+05 -4.12680e+06 9.84202e+03 Potential Pressure (bar) -3.37481e+06 -4.68390e+03 Step Time 5093 5093.00000 Step Time 5094 5094.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05230e+03 6.06937e+03 1.98982e+04 2.38155e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90338e+03 1.16637e+05 5.93444e+05 -4.12681e+06 9.84197e+03 Potential Pressure (bar) -3.37482e+06 -4.68424e+03 Step Time 5095 5095.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06264e+03 6.06964e+03 1.98982e+04 2.38167e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90387e+03 1.16636e+05 5.93467e+05 -4.12686e+06 9.84193e+03 Potential Pressure (bar) -3.37483e+06 -4.68342e+03 Step Time 5096 5096.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05407e+03 6.06990e+03 1.98982e+04 2.38140e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90320e+03 1.16637e+05 5.93471e+05 -4.12687e+06 9.84189e+03 Potential Pressure (bar) -3.37485e+06 -4.68392e+03 Step Time 5097 5097.00000 Step Time 5098 5098.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05378e+03 6.06894e+03 1.98982e+04 2.38154e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90358e+03 1.16637e+05 5.93478e+05 -4.12688e+06 9.84189e+03 Potential Pressure (bar) -3.37486e+06 -4.68344e+03 Step Time 5099 5099.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05611e+03 6.07042e+03 1.98982e+04 2.38134e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90309e+03 1.16637e+05 5.93484e+05 -4.12689e+06 9.84184e+03 Potential Pressure (bar) -3.37486e+06 -4.68378e+03 Step Time 5100 5100.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05616e+03 6.06910e+03 1.98983e+04 2.38154e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90364e+03 1.16636e+05 5.93490e+05 -4.12690e+06 9.84184e+03 Potential Pressure (bar) -3.37487e+06 -4.68320e+03 Step Time 5101 5101.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06014e+03 6.07131e+03 1.98983e+04 2.38125e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90295e+03 1.16638e+05 5.93496e+05 -4.12692e+06 9.84189e+03 Potential Pressure (bar) -3.37487e+06 -4.68372e+03 Step Time 5102 5102.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06126e+03 6.06955e+03 1.98983e+04 2.38154e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90376e+03 1.16636e+05 5.93502e+05 -4.12693e+06 9.84192e+03 Potential Pressure (bar) -3.37487e+06 -4.68289e+03 Step Time 5103 5103.00000 Step Time 5104 5104.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05218e+03 6.06934e+03 1.98983e+04 2.38135e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90325e+03 1.16637e+05 5.93505e+05 -4.12694e+06 9.84183e+03 Potential Pressure (bar) -3.37489e+06 -4.68324e+03 Step Time 5105 5105.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06625e+03 6.06998e+03 1.98984e+04 2.38139e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90373e+03 1.16636e+05 5.93545e+05 -4.12702e+06 9.84179e+03 Potential Pressure (bar) -3.37491e+06 -4.68220e+03 Step Time 5106 5106.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05389e+03 6.06987e+03 1.98984e+04 2.38114e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90302e+03 1.16637e+05 5.93548e+05 -4.12703e+06 9.84175e+03 Potential Pressure (bar) -3.37493e+06 -4.68276e+03 Step Time 5107 5107.00000 Step Time 5108 5108.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05497e+03 6.06906e+03 1.98984e+04 2.38129e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90343e+03 1.16636e+05 5.93555e+05 -4.12704e+06 9.84171e+03 Potential Pressure (bar) -3.37494e+06 -4.68222e+03 Step Time 5109 5109.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05591e+03 6.07039e+03 1.98984e+04 2.38110e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90291e+03 1.16637e+05 5.93561e+05 -4.12706e+06 9.84173e+03 Potential Pressure (bar) -3.37495e+06 -4.68262e+03 Step Time 5110 5110.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05808e+03 6.06930e+03 1.98984e+04 2.38129e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90350e+03 1.16636e+05 5.93568e+05 -4.12707e+06 9.84173e+03 Potential Pressure (bar) -3.37495e+06 -4.68196e+03 Step Time 5111 5111.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06013e+03 6.07136e+03 1.98984e+04 2.38102e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90276e+03 1.16637e+05 5.93573e+05 -4.12708e+06 9.84167e+03 Potential Pressure (bar) -3.37495e+06 -4.68253e+03 Step Time 5112 5112.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06447e+03 6.06991e+03 1.98985e+04 2.38130e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90362e+03 1.16635e+05 5.93581e+05 -4.12710e+06 9.84170e+03 Potential Pressure (bar) -3.37496e+06 -4.68164e+03 Step Time 5113 5113.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06882e+03 6.07321e+03 1.98985e+04 2.38090e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90256e+03 1.16637e+05 5.93586e+05 -4.12712e+06 9.84168e+03 Potential Pressure (bar) -3.37496e+06 -4.68255e+03 Step Time 5114 5114.00000 Step Time 5115 5115.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05234e+03 6.06910e+03 1.98985e+04 2.38110e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90317e+03 1.16636e+05 5.93590e+05 -4.12712e+06 9.84162e+03 Potential Pressure (bar) -3.37498e+06 -4.68183e+03 Step Time 5116 5116.00000 Step Time 5117 5117.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05734e+03 6.07073e+03 1.98985e+04 2.38091e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90276e+03 1.16637e+05 5.93601e+05 -4.12714e+06 9.84163e+03 Potential Pressure (bar) -3.37499e+06 -4.68204e+03 Step Time 5118 5118.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05318e+03 6.06904e+03 1.98985e+04 2.38107e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90320e+03 1.16636e+05 5.93606e+05 -4.12714e+06 9.84162e+03 Potential Pressure (bar) -3.37499e+06 -4.68150e+03 Step Time 5119 5119.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06076e+03 6.07153e+03 1.98985e+04 2.38082e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90264e+03 1.16637e+05 5.93615e+05 -4.12717e+06 9.84158e+03 Potential Pressure (bar) -3.37500e+06 -4.68191e+03 Step Time 5120 5120.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05543e+03 6.06913e+03 1.98986e+04 2.38105e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90328e+03 1.16636e+05 5.93621e+05 -4.12718e+06 9.84158e+03 Potential Pressure (bar) -3.37501e+06 -4.68120e+03 Step Time 5121 5121.00000 Step Time 5122 5122.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05328e+03 6.06974e+03 1.98986e+04 2.38090e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90287e+03 1.16636e+05 5.93624e+05 -4.12719e+06 9.84155e+03 Potential Pressure (bar) -3.37502e+06 -4.68151e+03 Step Time 5123 5123.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05785e+03 6.06930e+03 1.98986e+04 2.38104e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90331e+03 1.16635e+05 5.93636e+05 -4.12721e+06 9.84158e+03 Potential Pressure (bar) -3.37502e+06 -4.68093e+03 Step Time 5124 5124.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05517e+03 6.07028e+03 1.98986e+04 2.38082e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90274e+03 1.16636e+05 5.93640e+05 -4.12722e+06 9.84156e+03 Potential Pressure (bar) -3.37503e+06 -4.68136e+03 Step Time 5125 5125.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06249e+03 6.06973e+03 1.98986e+04 2.38103e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90340e+03 1.16635e+05 5.93650e+05 -4.12723e+06 9.84154e+03 Potential Pressure (bar) -3.37503e+06 -4.68066e+03 Step Time 5126 5126.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05951e+03 6.07130e+03 1.98986e+04 2.38073e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90258e+03 1.16637e+05 5.93654e+05 -4.12725e+06 9.84147e+03 Potential Pressure (bar) -3.37504e+06 -4.68131e+03 Step Time 5127 5127.00000 Step Time 5128 5128.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05296e+03 6.06910e+03 1.98986e+04 2.38087e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90304e+03 1.16636e+05 5.93658e+05 -4.12725e+06 9.84146e+03 Potential Pressure (bar) -3.37505e+06 -4.68074e+03 Step Time 5129 5129.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06387e+03 6.07220e+03 1.98987e+04 2.38063e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90243e+03 1.16637e+05 5.93670e+05 -4.12728e+06 9.84152e+03 Potential Pressure (bar) -3.37505e+06 -4.68116e+03 Step Time 5130 5130.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05514e+03 6.06916e+03 1.98987e+04 2.38086e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90312e+03 1.16635e+05 5.93674e+05 -4.12728e+06 9.84149e+03 Potential Pressure (bar) -3.37506e+06 -4.68039e+03 Step Time 5131 5131.00000 Step Time 5132 5132.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05417e+03 6.07002e+03 1.98987e+04 2.38069e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90269e+03 1.16636e+05 5.93679e+05 -4.12730e+06 9.84144e+03 Potential Pressure (bar) -3.37507e+06 -4.68067e+03 Step Time 5133 5133.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05760e+03 6.06933e+03 1.98987e+04 2.38085e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90317e+03 1.16635e+05 5.93687e+05 -4.12731e+06 9.84145e+03 Potential Pressure (bar) -3.37508e+06 -4.68013e+03 Step Time 5134 5134.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05675e+03 6.07066e+03 1.98987e+04 2.38059e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90256e+03 1.16636e+05 5.93692e+05 -4.12733e+06 9.84138e+03 Potential Pressure (bar) -3.37508e+06 -4.68060e+03 Step Time 5135 5135.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06250e+03 6.06978e+03 1.98987e+04 2.38087e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90327e+03 1.16635e+05 5.93700e+05 -4.12734e+06 9.84140e+03 Potential Pressure (bar) -3.37509e+06 -4.67984e+03 Step Time 5136 5136.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06228e+03 6.07191e+03 1.98987e+04 2.38051e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90238e+03 1.16636e+05 5.93705e+05 -4.12736e+06 9.84138e+03 Potential Pressure (bar) -3.37510e+06 -4.68055e+03 Step Time 5137 5137.00000 Step Time 5138 5138.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05277e+03 6.06917e+03 1.98988e+04 2.38070e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90289e+03 1.16635e+05 5.93709e+05 -4.12736e+06 9.84134e+03 Potential Pressure (bar) -3.37511e+06 -4.67997e+03 Step Time 5139 5139.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06770e+03 6.07297e+03 1.98988e+04 2.38040e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90223e+03 1.16637e+05 5.93724e+05 -4.12740e+06 9.84128e+03 Potential Pressure (bar) -3.37511e+06 -4.68038e+03 Step Time 5140 5140.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05483e+03 6.06920e+03 1.98988e+04 2.38068e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90296e+03 1.16635e+05 5.93728e+05 -4.12740e+06 9.84127e+03 Potential Pressure (bar) -3.37513e+06 -4.67953e+03 Step Time 5141 5141.00000 Step Time 5142 5142.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05540e+03 6.07033e+03 1.98988e+04 2.38047e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90250e+03 1.16636e+05 5.93733e+05 -4.12741e+06 9.84126e+03 Potential Pressure (bar) -3.37513e+06 -4.67987e+03 Step Time 5143 5143.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05734e+03 6.06939e+03 1.98988e+04 2.38065e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90302e+03 1.16635e+05 5.93741e+05 -4.12743e+06 9.84132e+03 Potential Pressure (bar) -3.37514e+06 -4.67932e+03 Step Time 5144 5144.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05877e+03 6.07112e+03 1.98988e+04 2.38037e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90237e+03 1.16636e+05 5.93746e+05 -4.12744e+06 9.84126e+03 Potential Pressure (bar) -3.37514e+06 -4.67981e+03 Step Time 5145 5145.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06252e+03 6.06986e+03 1.98989e+04 2.38065e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90313e+03 1.16635e+05 5.93753e+05 -4.12745e+06 9.84123e+03 Potential Pressure (bar) -3.37515e+06 -4.67900e+03 Step Time 5146 5146.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06570e+03 6.07262e+03 1.98989e+04 2.38027e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90219e+03 1.16636e+05 5.93759e+05 -4.12747e+06 9.84120e+03 Potential Pressure (bar) -3.37515e+06 -4.67981e+03 Step Time 5147 5147.00000 Step Time 5148 5148.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05266e+03 6.06926e+03 1.98989e+04 2.38049e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90274e+03 1.16635e+05 5.93762e+05 -4.12748e+06 9.84124e+03 Potential Pressure (bar) -3.37517e+06 -4.67916e+03 Step Time 5149 5149.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07246e+03 6.07385e+03 1.98989e+04 2.38013e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90199e+03 1.16636e+05 5.93784e+05 -4.12752e+06 9.84119e+03 Potential Pressure (bar) -3.37517e+06 -4.67955e+03 Step Time 5150 5150.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05452e+03 6.06923e+03 1.98989e+04 2.38045e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90279e+03 1.16635e+05 5.93788e+05 -4.12753e+06 9.84118e+03 Potential Pressure (bar) -3.37519e+06 -4.67869e+03 Step Time 5151 5151.00000 Step Time 5152 5152.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05700e+03 6.07074e+03 1.98989e+04 2.38022e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90230e+03 1.16636e+05 5.93794e+05 -4.12754e+06 9.84112e+03 Potential Pressure (bar) -3.37520e+06 -4.67900e+03 Step Time 5153 5153.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05709e+03 6.06938e+03 1.98990e+04 2.38045e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90287e+03 1.16635e+05 5.93800e+05 -4.12755e+06 9.84117e+03 Potential Pressure (bar) -3.37520e+06 -4.67841e+03 Step Time 5154 5154.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06130e+03 6.07172e+03 1.98990e+04 2.38014e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90215e+03 1.16636e+05 5.93806e+05 -4.12757e+06 9.84117e+03 Potential Pressure (bar) -3.37521e+06 -4.67895e+03 Step Time 5155 5155.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06258e+03 6.06986e+03 1.98990e+04 2.38047e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90299e+03 1.16634e+05 5.93812e+05 -4.12758e+06 9.84114e+03 Potential Pressure (bar) -3.37521e+06 -4.67813e+03 Step Time 5156 5156.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06992e+03 6.07355e+03 1.98990e+04 2.38002e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90197e+03 1.16636e+05 5.93818e+05 -4.12760e+06 9.84110e+03 Potential Pressure (bar) -3.37521e+06 -4.67899e+03 Step Time 5157 5157.00000 Step Time 5158 5158.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05264e+03 6.06936e+03 1.98990e+04 2.38026e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90255e+03 1.16635e+05 5.93821e+05 -4.12760e+06 9.84105e+03 Potential Pressure (bar) -3.37523e+06 -4.67830e+03 Step Time 5159 5159.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07824e+03 6.07495e+03 1.98990e+04 2.37987e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90174e+03 1.16636e+05 5.93857e+05 -4.12768e+06 9.84097e+03 Potential Pressure (bar) -3.37525e+06 -4.67852e+03 Step Time 5160 5160.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05425e+03 6.06928e+03 1.98991e+04 2.38019e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90259e+03 1.16634e+05 5.93861e+05 -4.12768e+06 9.84095e+03 Potential Pressure (bar) -3.37528e+06 -4.67757e+03 Step Time 5161 5161.00000 Step Time 5162 5162.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05909e+03 6.07121e+03 1.98991e+04 2.37995e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90206e+03 1.16635e+05 5.93867e+05 -4.12770e+06 9.84090e+03 Potential Pressure (bar) -3.37528e+06 -4.67792e+03 Step Time 5163 5163.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05685e+03 6.06943e+03 1.98991e+04 2.38020e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90267e+03 1.16634e+05 5.93873e+05 -4.12771e+06 9.84092e+03 Potential Pressure (bar) -3.37529e+06 -4.67726e+03 Step Time 5164 5164.00000 Step Time 5165 5165.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05318e+03 6.06975e+03 1.98991e+04 2.38003e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90228e+03 1.16635e+05 5.93876e+05 -4.12772e+06 9.84091e+03 Potential Pressure (bar) -3.37530e+06 -4.67752e+03 Step Time 5166 5166.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05948e+03 6.06963e+03 1.98992e+04 2.38012e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90269e+03 1.16634e+05 5.93894e+05 -4.12775e+06 9.84086e+03 Potential Pressure (bar) -3.37530e+06 -4.67691e+03 Step Time 5167 5167.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05460e+03 6.07020e+03 1.98991e+04 2.37990e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90213e+03 1.16635e+05 5.93898e+05 -4.12776e+06 9.84082e+03 Potential Pressure (bar) -3.37532e+06 -4.67730e+03 Step Time 5168 5168.00000 Step Time 5169 5169.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05377e+03 6.06932e+03 1.98992e+04 2.38002e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90244e+03 1.16634e+05 5.93904e+05 -4.12777e+06 9.84080e+03 Potential Pressure (bar) -3.37532e+06 -4.67690e+03 Step Time 5170 5170.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05611e+03 6.07061e+03 1.98992e+04 2.37982e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90204e+03 1.16635e+05 5.93910e+05 -4.12779e+06 9.84077e+03 Potential Pressure (bar) -3.37533e+06 -4.67716e+03 Step Time 5171 5171.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05528e+03 6.06936e+03 1.98992e+04 2.38001e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90249e+03 1.16634e+05 5.93916e+05 -4.12780e+06 9.84076e+03 Potential Pressure (bar) -3.37534e+06 -4.67667e+03 Step Time 5172 5172.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05908e+03 6.07131e+03 1.98992e+04 2.37974e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90192e+03 1.16635e+05 5.93922e+05 -4.12781e+06 9.84085e+03 Potential Pressure (bar) -3.37534e+06 -4.67708e+03 Step Time 5173 5173.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05861e+03 6.06959e+03 1.98992e+04 2.38001e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90258e+03 1.16634e+05 5.93928e+05 -4.12782e+06 9.84071e+03 Potential Pressure (bar) -3.37535e+06 -4.67638e+03 Step Time 5174 5174.00000 Step Time 5175 5175.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05311e+03 6.06973e+03 1.98992e+04 2.37981e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90216e+03 1.16634e+05 5.93930e+05 -4.12783e+06 9.84068e+03 Potential Pressure (bar) -3.37535e+06 -4.67668e+03 Step Time 5176 5176.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06181e+03 6.06993e+03 1.98993e+04 2.37995e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90258e+03 1.16633e+05 5.93958e+05 -4.12788e+06 9.84060e+03 Potential Pressure (bar) -3.37537e+06 -4.67590e+03 Step Time 5177 5177.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05444e+03 6.07019e+03 1.98993e+04 2.37966e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90198e+03 1.16634e+05 5.93962e+05 -4.12789e+06 9.84054e+03 Potential Pressure (bar) -3.37539e+06 -4.67632e+03 Step Time 5178 5178.00000 Step Time 5179 5179.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05457e+03 6.06937e+03 1.98993e+04 2.37977e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90232e+03 1.16634e+05 5.93968e+05 -4.12791e+06 9.84052e+03 Potential Pressure (bar) -3.37539e+06 -4.67588e+03 Step Time 5180 5180.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05598e+03 6.07062e+03 1.98993e+04 2.37956e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90188e+03 1.16634e+05 5.93974e+05 -4.12792e+06 9.84054e+03 Potential Pressure (bar) -3.37540e+06 -4.67621e+03 Step Time 5181 5181.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05655e+03 6.06948e+03 1.98993e+04 2.37976e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90237e+03 1.16633e+05 5.93981e+05 -4.12793e+06 9.84054e+03 Potential Pressure (bar) -3.37541e+06 -4.67561e+03 Step Time 5182 5182.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05909e+03 6.07137e+03 1.98993e+04 2.37951e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90175e+03 1.16635e+05 5.93986e+05 -4.12795e+06 9.84047e+03 Potential Pressure (bar) -3.37541e+06 -4.67611e+03 Step Time 5183 5183.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06073e+03 6.06982e+03 1.98994e+04 2.37979e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90247e+03 1.16633e+05 5.93992e+05 -4.12796e+06 9.84052e+03 Potential Pressure (bar) -3.37541e+06 -4.67536e+03 Step Time 5184 5184.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06539e+03 6.07275e+03 1.98994e+04 2.37941e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90159e+03 1.16635e+05 5.93998e+05 -4.12797e+06 9.84055e+03 Potential Pressure (bar) -3.37542e+06 -4.67607e+03 Step Time 5185 5185.00000 Step Time 5186 5186.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05300e+03 6.06954e+03 1.98994e+04 2.37960e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90209e+03 1.16634e+05 5.94001e+05 -4.12798e+06 9.84051e+03 Potential Pressure (bar) -3.37543e+06 -4.67550e+03 Step Time 5187 5187.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07155e+03 6.07378e+03 1.98994e+04 2.37930e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90140e+03 1.16635e+05 5.94029e+05 -4.12804e+06 9.84038e+03 Potential Pressure (bar) -3.37544e+06 -4.67576e+03 Step Time 5188 5188.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05437e+03 6.06944e+03 1.98995e+04 2.37960e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90214e+03 1.16633e+05 5.94033e+05 -4.12804e+06 9.84031e+03 Potential Pressure (bar) -3.37547e+06 -4.67492e+03 Step Time 5189 5189.00000 Step Time 5190 5190.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05751e+03 6.07099e+03 1.98995e+04 2.37937e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90166e+03 1.16634e+05 5.94040e+05 -4.12806e+06 9.84033e+03 Potential Pressure (bar) -3.37547e+06 -4.67524e+03 Step Time 5191 5191.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05637e+03 6.06954e+03 1.98995e+04 2.37958e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90219e+03 1.16633e+05 5.94045e+05 -4.12807e+06 9.84031e+03 Potential Pressure (bar) -3.37548e+06 -4.67467e+03 Step Time 5192 5192.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06144e+03 6.07188e+03 1.98995e+04 2.37926e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90153e+03 1.16634e+05 5.94052e+05 -4.12809e+06 9.84022e+03 Potential Pressure (bar) -3.37548e+06 -4.67519e+03 Step Time 5193 5193.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06080e+03 6.06990e+03 1.98995e+04 2.37956e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90230e+03 1.16633e+05 5.94058e+05 -4.12809e+06 9.84027e+03 Potential Pressure (bar) -3.37549e+06 -4.67438e+03 Step Time 5194 5194.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06922e+03 6.07353e+03 1.98995e+04 2.37917e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90135e+03 1.16634e+05 5.94063e+05 -4.12811e+06 9.84025e+03 Potential Pressure (bar) -3.37549e+06 -4.67518e+03 Step Time 5195 5195.00000 Step Time 5196 5196.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05309e+03 6.06965e+03 1.98995e+04 2.37937e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90190e+03 1.16633e+05 5.94066e+05 -4.12812e+06 9.84022e+03 Potential Pressure (bar) -3.37551e+06 -4.67454e+03 Step Time 5197 5197.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07684e+03 6.07463e+03 1.98996e+04 2.37898e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90111e+03 1.16634e+05 5.94122e+05 -4.12824e+06 9.84007e+03 Potential Pressure (bar) -3.37554e+06 -4.67438e+03 Step Time 5198 5198.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05420e+03 6.06957e+03 1.98997e+04 2.37924e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90188e+03 1.16633e+05 5.94126e+05 -4.12824e+06 9.84004e+03 Potential Pressure (bar) -3.37557e+06 -4.67351e+03 Step Time 5199 5199.00000 Step Time 5200 5200.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05952e+03 6.07140e+03 1.98997e+04 2.37897e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90138e+03 1.16634e+05 5.94134e+05 -4.12826e+06 9.83997e+03 Potential Pressure (bar) -3.37557e+06 -4.67385e+03 Step Time 5201 5201.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05624e+03 6.06967e+03 1.98997e+04 2.37925e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90194e+03 1.16633e+05 5.94139e+05 -4.12826e+06 9.83992e+03 Potential Pressure (bar) -3.37558e+06 -4.67328e+03 Step Time 5202 5202.00000 Step Time 5203 5203.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05388e+03 6.07005e+03 1.98997e+04 2.37910e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90159e+03 1.16633e+05 5.94142e+05 -4.12827e+06 9.83996e+03 Potential Pressure (bar) -3.37559e+06 -4.67349e+03 Step Time 5204 5204.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05837e+03 6.06984e+03 1.98997e+04 2.37921e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90197e+03 1.16632e+05 5.94156e+05 -4.12830e+06 9.83989e+03 Potential Pressure (bar) -3.37560e+06 -4.67296e+03 Step Time 5205 5205.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05527e+03 6.07046e+03 1.98997e+04 2.37896e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90146e+03 1.16633e+05 5.94159e+05 -4.12831e+06 9.83989e+03 Potential Pressure (bar) -3.37561e+06 -4.67331e+03 Step Time 5206 5206.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06228e+03 6.07021e+03 1.98998e+04 2.37921e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90204e+03 1.16632e+05 5.94169e+05 -4.12833e+06 9.83986e+03 Potential Pressure (bar) -3.37561e+06 -4.67273e+03 Step Time 5207 5207.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05851e+03 6.07127e+03 1.98998e+04 2.37884e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90131e+03 1.16633e+05 5.94173e+05 -4.12834e+06 9.83983e+03 Potential Pressure (bar) -3.37562e+06 -4.67323e+03 Step Time 5208 5208.00000 Step Time 5209 5209.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05408e+03 6.06963e+03 1.98998e+04 2.37903e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90173e+03 1.16633e+05 5.94178e+05 -4.12834e+06 9.83983e+03 Potential Pressure (bar) -3.37563e+06 -4.67275e+03 Step Time 5210 5210.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06183e+03 6.07198e+03 1.98998e+04 2.37880e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90118e+03 1.16633e+05 5.94187e+05 -4.12837e+06 9.83977e+03 Potential Pressure (bar) -3.37563e+06 -4.67311e+03 Step Time 5211 5211.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05603e+03 6.06969e+03 1.98998e+04 2.37906e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90180e+03 1.16632e+05 5.94191e+05 -4.12838e+06 9.83977e+03 Potential Pressure (bar) -3.37564e+06 -4.67246e+03 Step Time 5212 5212.00000 Step Time 5213 5213.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05454e+03 6.07030e+03 1.98998e+04 2.37888e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90141e+03 1.16633e+05 5.94195e+05 -4.12839e+06 9.83965e+03 Potential Pressure (bar) -3.37565e+06 -4.67272e+03 Step Time 5214 5214.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05816e+03 6.06985e+03 1.98998e+04 2.37904e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90184e+03 1.16632e+05 5.94205e+05 -4.12840e+06 9.83973e+03 Potential Pressure (bar) -3.37565e+06 -4.67220e+03 Step Time 5215 5215.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05642e+03 6.07082e+03 1.98998e+04 2.37877e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90128e+03 1.16633e+05 5.94209e+05 -4.12841e+06 9.83965e+03 Potential Pressure (bar) -3.37566e+06 -4.67259e+03 Step Time 5216 5216.00000 Step Time 5217 5217.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05375e+03 6.06967e+03 1.98998e+04 2.37894e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90160e+03 1.16632e+05 5.94213e+05 -4.12842e+06 9.83964e+03 Potential Pressure (bar) -3.37567e+06 -4.67221e+03 Step Time 5218 5218.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05834e+03 6.07125e+03 1.98999e+04 2.37870e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90118e+03 1.16633e+05 5.94222e+05 -4.12844e+06 9.83954e+03 Potential Pressure (bar) -3.37567e+06 -4.67245e+03 Step Time 5219 5219.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05480e+03 6.06968e+03 1.98999e+04 2.37888e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90164e+03 1.16632e+05 5.94227e+05 -4.12845e+06 9.83961e+03 Potential Pressure (bar) -3.37568e+06 -4.67195e+03 Step Time 5220 5220.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06181e+03 6.07202e+03 1.98999e+04 2.37862e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90106e+03 1.16633e+05 5.94235e+05 -4.12847e+06 9.83952e+03 Potential Pressure (bar) -3.37568e+06 -4.67235e+03 Step Time 5221 5221.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05745e+03 6.06984e+03 1.98999e+04 2.37890e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90171e+03 1.16632e+05 5.94240e+05 -4.12848e+06 9.83953e+03 Potential Pressure (bar) -3.37569e+06 -4.67169e+03 Step Time 5222 5222.00000 Step Time 5223 5223.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05432e+03 6.07026e+03 1.98999e+04 2.37871e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90130e+03 1.16633e+05 5.94243e+05 -4.12848e+06 9.83949e+03 Potential Pressure (bar) -3.37570e+06 -4.67197e+03 Step Time 5224 5224.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06019e+03 6.07007e+03 1.99000e+04 2.37886e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90176e+03 1.16632e+05 5.94256e+05 -4.12851e+06 9.83952e+03 Potential Pressure (bar) -3.37570e+06 -4.67138e+03 Step Time 5225 5225.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05617e+03 6.07078e+03 1.98999e+04 2.37859e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90116e+03 1.16633e+05 5.94260e+05 -4.12852e+06 9.83945e+03 Potential Pressure (bar) -3.37572e+06 -4.67181e+03 Step Time 5226 5226.00000 Step Time 5227 5227.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05428e+03 6.06971e+03 1.99000e+04 2.37872e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90150e+03 1.16632e+05 5.94264e+05 -4.12853e+06 9.83938e+03 Potential Pressure (bar) -3.37572e+06 -4.67143e+03 Step Time 5228 5228.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05811e+03 6.07124e+03 1.99000e+04 2.37852e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90107e+03 1.16633e+05 5.94271e+05 -4.12855e+06 9.83940e+03 Potential Pressure (bar) -3.37573e+06 -4.67170e+03 Step Time 5229 5229.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05578e+03 6.06975e+03 1.99000e+04 2.37871e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90156e+03 1.16632e+05 5.94277e+05 -4.12856e+06 9.83937e+03 Potential Pressure (bar) -3.37574e+06 -4.67116e+03 Step Time 5230 5230.00000 Step Time 5231 5231.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05398e+03 6.07016e+03 1.99000e+04 2.37857e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90125e+03 1.16632e+05 5.94280e+05 -4.12856e+06 9.83935e+03 Potential Pressure (bar) -3.37574e+06 -4.67138e+03 Step Time 5232 5232.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05735e+03 6.06986e+03 1.99000e+04 2.37871e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90157e+03 1.16632e+05 5.94295e+05 -4.12859e+06 9.83928e+03 Potential Pressure (bar) -3.37576e+06 -4.67087e+03 Step Time 5233 5233.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05501e+03 6.07048e+03 1.99000e+04 2.37848e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90112e+03 1.16632e+05 5.94299e+05 -4.12860e+06 9.83925e+03 Potential Pressure (bar) -3.37576e+06 -4.67118e+03 Step Time 5234 5234.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06026e+03 6.07011e+03 1.99001e+04 2.37870e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90162e+03 1.16631e+05 5.94309e+05 -4.12862e+06 9.83923e+03 Potential Pressure (bar) -3.37577e+06 -4.67061e+03 Step Time 5235 5235.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05743e+03 6.07112e+03 1.99001e+04 2.37838e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90098e+03 1.16632e+05 5.94313e+05 -4.12863e+06 9.83913e+03 Potential Pressure (bar) -3.37577e+06 -4.67105e+03 Step Time 5236 5236.00000 Step Time 5237 5237.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05418e+03 6.06977e+03 1.99001e+04 2.37852e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90134e+03 1.16632e+05 5.94317e+05 -4.12864e+06 9.83916e+03 Potential Pressure (bar) -3.37578e+06 -4.67065e+03 Step Time 5238 5238.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05989e+03 6.07169e+03 1.99001e+04 2.37831e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90088e+03 1.16632e+05 5.94326e+05 -4.12866e+06 9.83913e+03 Potential Pressure (bar) -3.37579e+06 -4.67094e+03 Step Time 5239 5239.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05564e+03 6.06980e+03 1.99001e+04 2.37852e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90140e+03 1.16631e+05 5.94330e+05 -4.12867e+06 9.83912e+03 Potential Pressure (bar) -3.37580e+06 -4.67035e+03 Step Time 5240 5240.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06440e+03 6.07268e+03 1.99001e+04 2.37821e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90074e+03 1.16632e+05 5.94338e+05 -4.12869e+06 9.83909e+03 Potential Pressure (bar) -3.37580e+06 -4.67088e+03 Step Time 5241 5241.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05926e+03 6.07003e+03 1.99001e+04 2.37854e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90150e+03 1.16631e+05 5.94343e+05 -4.12870e+06 9.83906e+03 Potential Pressure (bar) -3.37581e+06 -4.67008e+03 Step Time 5242 5242.00000 Step Time 5243 5243.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05471e+03 6.07044e+03 1.99001e+04 2.37833e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90103e+03 1.16632e+05 5.94346e+05 -4.12871e+06 9.83901e+03 Potential Pressure (bar) -3.37582e+06 -4.67041e+03 Step Time 5244 5244.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06299e+03 6.07037e+03 1.99002e+04 2.37850e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90154e+03 1.16631e+05 5.94360e+05 -4.12873e+06 9.83900e+03 Potential Pressure (bar) -3.37582e+06 -4.66978e+03 Step Time 5245 5245.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05708e+03 6.07107e+03 1.99002e+04 2.37821e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90086e+03 1.16632e+05 5.94363e+05 -4.12874e+06 9.83891e+03 Potential Pressure (bar) -3.37584e+06 -4.67030e+03 Step Time 5246 5246.00000 Step Time 5247 5247.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05488e+03 6.06981e+03 1.99002e+04 2.37837e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90125e+03 1.16631e+05 5.94368e+05 -4.12875e+06 9.83896e+03 Potential Pressure (bar) -3.37584e+06 -4.66987e+03 Step Time 5248 5248.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05959e+03 6.07166e+03 1.99002e+04 2.37814e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90076e+03 1.16632e+05 5.94375e+05 -4.12877e+06 9.83886e+03 Potential Pressure (bar) -3.37585e+06 -4.67020e+03 Step Time 5249 5249.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05695e+03 6.06991e+03 1.99002e+04 2.37834e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90132e+03 1.16631e+05 5.94381e+05 -4.12878e+06 9.83888e+03 Potential Pressure (bar) -3.37586e+06 -4.66960e+03 Step Time 5250 5250.00000 Step Time 5251 5251.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05427e+03 6.07031e+03 1.99002e+04 2.37817e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90096e+03 1.16632e+05 5.94384e+05 -4.12879e+06 9.83882e+03 Potential Pressure (bar) -3.37587e+06 -4.66981e+03 Step Time 5252 5252.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05907e+03 6.07005e+03 1.99003e+04 2.37833e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90135e+03 1.16631e+05 5.94398e+05 -4.12882e+06 9.83878e+03 Potential Pressure (bar) -3.37588e+06 -4.66926e+03 Step Time 5253 5253.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05558e+03 6.07071e+03 1.99003e+04 2.37809e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90084e+03 1.16632e+05 5.94402e+05 -4.12883e+06 9.83875e+03 Potential Pressure (bar) -3.37588e+06 -4.66964e+03 Step Time 5254 5254.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06301e+03 6.07043e+03 1.99003e+04 2.37833e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90141e+03 1.16631e+05 5.94412e+05 -4.12884e+06 9.83873e+03 Potential Pressure (bar) -3.37588e+06 -4.66903e+03 Step Time 5255 5255.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05870e+03 6.07150e+03 1.99003e+04 2.37799e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90068e+03 1.16632e+05 5.94416e+05 -4.12886e+06 9.83873e+03 Potential Pressure (bar) -3.37590e+06 -4.66955e+03 Step Time 5256 5256.00000 Step Time 5257 5257.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05468e+03 6.06987e+03 1.99003e+04 2.37816e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90110e+03 1.16631e+05 5.94420e+05 -4.12886e+06 9.83867e+03 Potential Pressure (bar) -3.37590e+06 -4.66906e+03 Step Time 5258 5258.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06190e+03 6.07220e+03 1.99003e+04 2.37790e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90056e+03 1.16632e+05 5.94429e+05 -4.12889e+06 9.83865e+03 Potential Pressure (bar) -3.37591e+06 -4.66944e+03 Step Time 5259 5259.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05671e+03 6.06993e+03 1.99003e+04 2.37815e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90116e+03 1.16631e+05 5.94434e+05 -4.12889e+06 9.83865e+03 Potential Pressure (bar) -3.37592e+06 -4.66879e+03 Step Time 5260 5260.00000 Step Time 5261 5261.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05491e+03 6.07054e+03 1.99003e+04 2.37797e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90078e+03 1.16631e+05 5.94437e+05 -4.12890e+06 9.83857e+03 Potential Pressure (bar) -3.37592e+06 -4.66904e+03 Step Time 5262 5262.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05887e+03 6.07008e+03 1.99004e+04 2.37817e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90120e+03 1.16630e+05 5.94447e+05 -4.12892e+06 9.83856e+03 Potential Pressure (bar) -3.37593e+06 -4.66850e+03 Step Time 5263 5263.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05670e+03 6.07103e+03 1.99004e+04 2.37790e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90065e+03 1.16631e+05 5.94452e+05 -4.12893e+06 9.83851e+03 Potential Pressure (bar) -3.37594e+06 -4.66892e+03 Step Time 5264 5264.00000 Step Time 5265 5265.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05433e+03 6.06993e+03 1.99004e+04 2.37800e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90097e+03 1.16631e+05 5.94456e+05 -4.12894e+06 9.83854e+03 Potential Pressure (bar) -3.37594e+06 -4.66854e+03 Step Time 5266 5266.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05851e+03 6.07146e+03 1.99004e+04 2.37784e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90056e+03 1.16631e+05 5.94464e+05 -4.12895e+06 9.83847e+03 Potential Pressure (bar) -3.37595e+06 -4.66879e+03 Step Time 5267 5267.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05543e+03 6.06991e+03 1.99004e+04 2.37803e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90101e+03 1.16631e+05 5.94469e+05 -4.12896e+06 9.83844e+03 Potential Pressure (bar) -3.37595e+06 -4.66829e+03 Step Time 5268 5268.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06186e+03 6.07226e+03 1.99004e+04 2.37774e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90044e+03 1.16632e+05 5.94476e+05 -4.12898e+06 9.83839e+03 Potential Pressure (bar) -3.37596e+06 -4.66874e+03 Step Time 5269 5269.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05813e+03 6.07008e+03 1.99005e+04 2.37800e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90110e+03 1.16630e+05 5.94482e+05 -4.12899e+06 9.83842e+03 Potential Pressure (bar) -3.37597e+06 -4.66805e+03 Step Time 5270 5270.00000 Step Time 5271 5271.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05469e+03 6.07051e+03 1.99004e+04 2.37783e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90068e+03 1.16631e+05 5.94485e+05 -4.12900e+06 9.83839e+03 Potential Pressure (bar) -3.37598e+06 -4.66832e+03 Step Time 5272 5272.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06093e+03 6.07030e+03 1.99005e+04 2.37798e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90113e+03 1.16630e+05 5.94498e+05 -4.12903e+06 9.83829e+03 Potential Pressure (bar) -3.37598e+06 -4.66772e+03 Step Time 5273 5273.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05646e+03 6.07101e+03 1.99005e+04 2.37773e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90053e+03 1.16631e+05 5.94502e+05 -4.12904e+06 9.83832e+03 Potential Pressure (bar) -3.37599e+06 -4.66817e+03 Step Time 5274 5274.00000 Step Time 5275 5275.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05488e+03 6.06995e+03 1.99005e+04 2.37785e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90088e+03 1.16630e+05 5.94507e+05 -4.12905e+06 9.83825e+03 Potential Pressure (bar) -3.37600e+06 -4.66777e+03 Step Time 5276 5276.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05831e+03 6.07147e+03 1.99005e+04 2.37766e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90044e+03 1.16631e+05 5.94514e+05 -4.12906e+06 9.83824e+03 Potential Pressure (bar) -3.37600e+06 -4.66808e+03 Step Time 5277 5277.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05644e+03 6.07001e+03 1.99005e+04 2.37785e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90093e+03 1.16630e+05 5.94519e+05 -4.12907e+06 9.83819e+03 Potential Pressure (bar) -3.37601e+06 -4.66751e+03 Step Time 5278 5278.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06185e+03 6.07227e+03 1.99005e+04 2.37759e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90031e+03 1.16631e+05 5.94525e+05 -4.12909e+06 9.83814e+03 Potential Pressure (bar) -3.37601e+06 -4.66799e+03 Step Time 5279 5279.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05999e+03 6.07025e+03 1.99006e+04 2.37784e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90102e+03 1.16630e+05 5.94531e+05 -4.12909e+06 9.83811e+03 Potential Pressure (bar) -3.37602e+06 -4.66722e+03 Step Time 5280 5280.00000 Step Time 5281 5281.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05453e+03 6.07046e+03 1.99006e+04 2.37765e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90057e+03 1.16631e+05 5.94534e+05 -4.12910e+06 9.83812e+03 Potential Pressure (bar) -3.37603e+06 -4.66754e+03 Step Time 5282 5282.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06353e+03 6.07056e+03 1.99006e+04 2.37785e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90105e+03 1.16630e+05 5.94553e+05 -4.12914e+06 9.83802e+03 Potential Pressure (bar) -3.37604e+06 -4.66685e+03 Step Time 5283 5283.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05622e+03 6.07098e+03 1.99006e+04 2.37759e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90041e+03 1.16631e+05 5.94556e+05 -4.12915e+06 9.83800e+03 Potential Pressure (bar) -3.37605e+06 -4.66733e+03 Step Time 5284 5284.00000 Step Time 5285 5285.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05567e+03 6.07000e+03 1.99006e+04 2.37772e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90078e+03 1.16630e+05 5.94561e+05 -4.12916e+06 9.83797e+03 Potential Pressure (bar) -3.37606e+06 -4.66690e+03 Step Time 5286 5286.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05810e+03 6.07148e+03 1.99006e+04 2.37750e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90030e+03 1.16631e+05 5.94567e+05 -4.12918e+06 9.83796e+03 Potential Pressure (bar) -3.37607e+06 -4.66725e+03 Step Time 5287 5287.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05776e+03 6.07012e+03 1.99006e+04 2.37769e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90083e+03 1.16630e+05 5.94573e+05 -4.12918e+06 9.83793e+03 Potential Pressure (bar) -3.37607e+06 -4.66665e+03 Step Time 5288 5288.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06184e+03 6.07232e+03 1.99006e+04 2.37744e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90018e+03 1.16631e+05 5.94578e+05 -4.12920e+06 9.83792e+03 Potential Pressure (bar) -3.37608e+06 -4.66721e+03 Step Time 5289 5289.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06230e+03 6.07049e+03 1.99007e+04 2.37769e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90094e+03 1.16629e+05 5.94584e+05 -4.12921e+06 9.83787e+03 Potential Pressure (bar) -3.37608e+06 -4.66640e+03 Step Time 5290 5290.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06926e+03 6.07392e+03 1.99007e+04 2.37733e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90000e+03 1.16631e+05 5.94590e+05 -4.12923e+06 9.83787e+03 Potential Pressure (bar) -3.37608e+06 -4.66720e+03 Step Time 5291 5291.00000 Step Time 5292 5292.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05419e+03 6.07017e+03 1.99007e+04 2.37752e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90054e+03 1.16630e+05 5.94593e+05 -4.12923e+06 9.83785e+03 Potential Pressure (bar) -3.37610e+06 -4.66657e+03 Step Time 5293 5293.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07644e+03 6.07518e+03 1.99008e+04 2.37718e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89978e+03 1.16631e+05 5.94630e+05 -4.12932e+06 9.83763e+03 Potential Pressure (bar) -3.37612e+06 -4.66677e+03 Step Time 5294 5294.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05547e+03 6.07007e+03 1.99008e+04 2.37747e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90055e+03 1.16630e+05 5.94634e+05 -4.12932e+06 9.83756e+03 Potential Pressure (bar) -3.37615e+06 -4.66586e+03 Step Time 5295 5295.00000 Step Time 5296 5296.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05995e+03 6.07191e+03 1.99008e+04 2.37724e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90006e+03 1.16630e+05 5.94641e+05 -4.12933e+06 9.83753e+03 Potential Pressure (bar) -3.37615e+06 -4.66621e+03 Step Time 5297 5297.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05761e+03 6.07016e+03 1.99008e+04 2.37745e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90062e+03 1.16629e+05 5.94646e+05 -4.12934e+06 9.83750e+03 Potential Pressure (bar) -3.37616e+06 -4.66559e+03 Step Time 5298 5298.00000 Step Time 5299 5299.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05477e+03 6.07059e+03 1.99008e+04 2.37729e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90027e+03 1.16630e+05 5.94649e+05 -4.12935e+06 9.83749e+03 Potential Pressure (bar) -3.37617e+06 -4.66586e+03 Step Time 5300 5300.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05979e+03 6.07028e+03 1.99008e+04 2.37742e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90065e+03 1.16629e+05 5.94664e+05 -4.12938e+06 9.83743e+03 Potential Pressure (bar) -3.37617e+06 -4.66528e+03 Step Time 5301 5301.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05603e+03 6.07100e+03 1.99008e+04 2.37721e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90014e+03 1.16630e+05 5.94668e+05 -4.12939e+06 9.83743e+03 Potential Pressure (bar) -3.37618e+06 -4.66568e+03 Step Time 5302 5302.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06378e+03 6.07067e+03 1.99009e+04 2.37739e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90071e+03 1.16629e+05 5.94678e+05 -4.12941e+06 9.83738e+03 Potential Pressure (bar) -3.37618e+06 -4.66500e+03 Step Time 5303 5303.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05905e+03 6.07180e+03 1.99009e+04 2.37709e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89998e+03 1.16630e+05 5.94682e+05 -4.12942e+06 9.83731e+03 Potential Pressure (bar) -3.37620e+06 -4.66558e+03 Step Time 5304 5304.00000 Step Time 5305 5305.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05531e+03 6.07014e+03 1.99009e+04 2.37723e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90040e+03 1.16629e+05 5.94686e+05 -4.12943e+06 9.83731e+03 Potential Pressure (bar) -3.37620e+06 -4.66510e+03 Step Time 5306 5306.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06217e+03 6.07252e+03 1.99009e+04 2.37703e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89986e+03 1.16630e+05 5.94694e+05 -4.12945e+06 9.83726e+03 Potential Pressure (bar) -3.37621e+06 -4.66546e+03 Step Time 5307 5307.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05736e+03 6.07021e+03 1.99009e+04 2.37725e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90048e+03 1.16629e+05 5.94699e+05 -4.12946e+06 9.83724e+03 Potential Pressure (bar) -3.37622e+06 -4.66482e+03 Step Time 5308 5308.00000 Step Time 5309 5309.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05537e+03 6.07083e+03 1.99009e+04 2.37709e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90009e+03 1.16630e+05 5.94702e+05 -4.12947e+06 9.83718e+03 Potential Pressure (bar) -3.37623e+06 -4.66507e+03 Step Time 5310 5310.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05958e+03 6.07037e+03 1.99009e+04 2.37723e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90051e+03 1.16629e+05 5.94713e+05 -4.12948e+06 9.83719e+03 Potential Pressure (bar) -3.37623e+06 -4.66454e+03 Step Time 5311 5311.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05709e+03 6.07134e+03 1.99009e+04 2.37702e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89997e+03 1.16630e+05 5.94717e+05 -4.12949e+06 9.83711e+03 Potential Pressure (bar) -3.37624e+06 -4.66495e+03 Step Time 5312 5312.00000 Step Time 5313 5313.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05494e+03 6.07020e+03 1.99010e+04 2.37710e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90027e+03 1.16629e+05 5.94722e+05 -4.12950e+06 9.83712e+03 Potential Pressure (bar) -3.37624e+06 -4.66459e+03 Step Time 5314 5314.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05886e+03 6.07177e+03 1.99010e+04 2.37692e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89987e+03 1.16630e+05 5.94729e+05 -4.12952e+06 9.83709e+03 Potential Pressure (bar) -3.37625e+06 -4.66483e+03 Step Time 5315 5315.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05609e+03 6.07019e+03 1.99010e+04 2.37707e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90032e+03 1.16629e+05 5.94734e+05 -4.12952e+06 9.83705e+03 Potential Pressure (bar) -3.37625e+06 -4.66435e+03 Step Time 5316 5316.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06213e+03 6.07253e+03 1.99010e+04 2.37685e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89975e+03 1.16630e+05 5.94741e+05 -4.12954e+06 9.83698e+03 Potential Pressure (bar) -3.37626e+06 -4.66477e+03 Step Time 5317 5317.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05885e+03 6.07034e+03 1.99010e+04 2.37707e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90040e+03 1.16629e+05 5.94746e+05 -4.12955e+06 9.83695e+03 Potential Pressure (bar) -3.37627e+06 -4.66406e+03 Step Time 5318 5318.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06841e+03 6.07388e+03 1.99010e+04 2.37677e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89960e+03 1.16630e+05 5.94752e+05 -4.12957e+06 9.83693e+03 Potential Pressure (bar) -3.37627e+06 -4.66474e+03 Step Time 5319 5319.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06518e+03 6.07089e+03 1.99010e+04 2.37712e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90054e+03 1.16628e+05 5.94758e+05 -4.12958e+06 9.83693e+03 Potential Pressure (bar) -3.37627e+06 -4.66379e+03 Step Time 5320 5320.00000 Step Time 5321 5321.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05539e+03 6.07088e+03 1.99010e+04 2.37689e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89995e+03 1.16629e+05 5.94760e+05 -4.12959e+06 9.83688e+03 Potential Pressure (bar) -3.37629e+06 -4.66419e+03 Step Time 5322 5322.00000 Step Time 5323 5323.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05704e+03 6.07027e+03 1.99011e+04 2.37697e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90027e+03 1.16629e+05 5.94768e+05 -4.12960e+06 9.83680e+03 Potential Pressure (bar) -3.37630e+06 -4.66377e+03 Step Time 5324 5324.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05663e+03 6.07124e+03 1.99010e+04 2.37680e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89985e+03 1.16629e+05 5.94773e+05 -4.12962e+06 9.83678e+03 Potential Pressure (bar) -3.37631e+06 -4.66407e+03 Step Time 5325 5325.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05934e+03 6.07041e+03 1.99011e+04 2.37697e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90032e+03 1.16628e+05 5.94781e+05 -4.12963e+06 9.83676e+03 Potential Pressure (bar) -3.37631e+06 -4.66352e+03 Step Time 5326 5326.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05926e+03 6.07190e+03 1.99011e+04 2.37677e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89972e+03 1.16630e+05 5.94785e+05 -4.12964e+06 9.83674e+03 Potential Pressure (bar) -3.37632e+06 -4.66400e+03 Step Time 5327 5327.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06395e+03 6.07083e+03 1.99011e+04 2.37700e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90042e+03 1.16628e+05 5.94792e+05 -4.12966e+06 9.83672e+03 Potential Pressure (bar) -3.37632e+06 -4.66330e+03 Step Time 5328 5328.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06483e+03 6.07317e+03 1.99011e+04 2.37664e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89954e+03 1.16630e+05 5.94796e+05 -4.12967e+06 9.83669e+03 Potential Pressure (bar) -3.37633e+06 -4.66398e+03 Step Time 5329 5329.00000 Step Time 5330 5330.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05489e+03 6.07033e+03 1.99011e+04 2.37681e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90005e+03 1.16629e+05 5.94800e+05 -4.12967e+06 9.83669e+03 Potential Pressure (bar) -3.37634e+06 -4.66342e+03 Step Time 5331 5331.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07028e+03 6.07422e+03 1.99011e+04 2.37655e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89938e+03 1.16630e+05 5.94815e+05 -4.12971e+06 9.83663e+03 Potential Pressure (bar) -3.37634e+06 -4.66387e+03 Step Time 5332 5332.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05675e+03 6.07031e+03 1.99012e+04 2.37681e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90012e+03 1.16628e+05 5.94819e+05 -4.12972e+06 9.83657e+03 Potential Pressure (bar) -3.37636e+06 -4.66305e+03 Step Time 5333 5333.00000 Step Time 5334 5334.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05787e+03 6.07157e+03 1.99012e+04 2.37664e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89966e+03 1.16629e+05 5.94824e+05 -4.12973e+06 9.83649e+03 Potential Pressure (bar) -3.37636e+06 -4.66337e+03 Step Time 5335 5335.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05908e+03 6.07047e+03 1.99012e+04 2.37682e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90018e+03 1.16628e+05 5.94830e+05 -4.12974e+06 9.83647e+03 Potential Pressure (bar) -3.37637e+06 -4.66282e+03 Step Time 5336 5336.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06128e+03 6.07237e+03 1.99012e+04 2.37651e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89952e+03 1.16629e+05 5.94836e+05 -4.12975e+06 9.83642e+03 Potential Pressure (bar) -3.37637e+06 -4.66332e+03 Step Time 5337 5337.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06398e+03 6.07089e+03 1.99012e+04 2.37680e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90029e+03 1.16628e+05 5.94842e+05 -4.12976e+06 9.83639e+03 Potential Pressure (bar) -3.37638e+06 -4.66256e+03 Step Time 5338 5338.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06826e+03 6.07389e+03 1.99012e+04 2.37641e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89935e+03 1.16629e+05 5.94847e+05 -4.12978e+06 9.83633e+03 Potential Pressure (bar) -3.37638e+06 -4.66333e+03 Step Time 5339 5339.00000 Step Time 5340 5340.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05482e+03 6.07044e+03 1.99012e+04 2.37661e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89989e+03 1.16628e+05 5.94850e+05 -4.12978e+06 9.83633e+03 Potential Pressure (bar) -3.37640e+06 -4.66270e+03 Step Time 5341 5341.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07497e+03 6.07513e+03 1.99012e+04 2.37631e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89918e+03 1.16629e+05 5.94872e+05 -4.12984e+06 9.83618e+03 Potential Pressure (bar) -3.37641e+06 -4.66309e+03 Step Time 5342 5342.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05648e+03 6.07039e+03 1.99013e+04 2.37662e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89996e+03 1.16628e+05 5.94876e+05 -4.12984e+06 9.83616e+03 Potential Pressure (bar) -3.37643e+06 -4.66222e+03 Step Time 5343 5343.00000 Step Time 5344 5344.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05951e+03 6.07197e+03 1.99013e+04 2.37641e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89946e+03 1.16629e+05 5.94882e+05 -4.12986e+06 9.83615e+03 Potential Pressure (bar) -3.37643e+06 -4.66257e+03 Step Time 5345 5345.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05886e+03 6.07053e+03 1.99013e+04 2.37662e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90002e+03 1.16628e+05 5.94888e+05 -4.12986e+06 9.83614e+03 Potential Pressure (bar) -3.37644e+06 -4.66198e+03 Step Time 5346 5346.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06385e+03 6.07296e+03 1.99013e+04 2.37630e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89931e+03 1.16629e+05 5.94893e+05 -4.12988e+06 9.83611e+03 Potential Pressure (bar) -3.37644e+06 -4.66251e+03 Step Time 5347 5347.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06402e+03 6.07098e+03 1.99013e+04 2.37663e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90013e+03 1.16627e+05 5.94899e+05 -4.12989e+06 9.83614e+03 Potential Pressure (bar) -3.37644e+06 -4.66171e+03 Step Time 5348 5348.00000 Step Time 5349 5349.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05514e+03 6.07084e+03 1.99013e+04 2.37640e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89962e+03 1.16628e+05 5.94901e+05 -4.12990e+06 9.83608e+03 Potential Pressure (bar) -3.37646e+06 -4.66202e+03 Step Time 5350 5350.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06910e+03 6.07153e+03 1.99014e+04 2.37663e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90015e+03 1.16627e+05 5.94929e+05 -4.12995e+06 9.83590e+03 Potential Pressure (bar) -3.37647e+06 -4.66126e+03 Step Time 5351 5351.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05706e+03 6.07141e+03 1.99014e+04 2.37631e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89942e+03 1.16628e+05 5.94932e+05 -4.12996e+06 9.83586e+03 Potential Pressure (bar) -3.37649e+06 -4.66175e+03 Step Time 5352 5352.00000 Step Time 5353 5353.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05766e+03 6.07053e+03 1.99014e+04 2.37643e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89983e+03 1.16628e+05 5.94938e+05 -4.12997e+06 9.83582e+03 Potential Pressure (bar) -3.37650e+06 -4.66130e+03 Step Time 5354 5354.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05927e+03 6.07197e+03 1.99014e+04 2.37620e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89930e+03 1.16629e+05 5.94943e+05 -4.12999e+06 9.83582e+03 Potential Pressure (bar) -3.37650e+06 -4.66167e+03 Step Time 5355 5355.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06077e+03 6.07076e+03 1.99014e+04 2.37642e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89992e+03 1.16627e+05 5.94949e+05 -4.13000e+06 9.83576e+03 Potential Pressure (bar) -3.37651e+06 -4.66105e+03 Step Time 5356 5356.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06381e+03 6.07301e+03 1.99014e+04 2.37608e+02 -1.09378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89916e+03 1.16629e+05 5.94954e+05 -4.13001e+06 9.83575e+03 Potential Pressure (bar) -3.37651e+06 -4.66163e+03 Step Time 5357 5357.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06727e+03 6.07138e+03 1.99014e+04 2.37645e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.90004e+03 1.16627e+05 5.94960e+05 -4.13002e+06 9.83574e+03 Potential Pressure (bar) -3.37651e+06 -4.66079e+03 Step Time 5358 5358.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07309e+03 6.07496e+03 1.99014e+04 2.37599e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89896e+03 1.16629e+05 5.94965e+05 -4.13004e+06 9.83569e+03 Potential Pressure (bar) -3.37652e+06 -4.66169e+03 Step Time 5359 5359.00000 Step Time 5360 5360.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05511e+03 6.07058e+03 1.99014e+04 2.37625e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89958e+03 1.16628e+05 5.94968e+05 -4.13004e+06 9.83562e+03 Potential Pressure (bar) -3.37654e+06 -4.66095e+03 Step Time 5361 5361.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08202e+03 6.07658e+03 1.99015e+04 2.37582e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89879e+03 1.16629e+05 5.94992e+05 -4.13010e+06 9.83551e+03 Potential Pressure (bar) -3.37654e+06 -4.66147e+03 Step Time 5362 5362.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05727e+03 6.07056e+03 1.99015e+04 2.37619e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89967e+03 1.16627e+05 5.94995e+05 -4.13010e+06 9.83548e+03 Potential Pressure (bar) -3.37657e+06 -4.66043e+03 Step Time 5363 5363.00000 Step Time 5364 5364.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06137e+03 6.07251e+03 1.99015e+04 2.37596e+02 -1.09378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89908e+03 1.16628e+05 5.95001e+05 -4.13012e+06 9.83542e+03 Potential Pressure (bar) -3.37657e+06 -4.66089e+03 Step Time 5365 5365.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06045e+03 6.07077e+03 1.99015e+04 2.37625e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89975e+03 1.16627e+05 5.95006e+05 -4.13012e+06 9.83544e+03 Potential Pressure (bar) -3.37658e+06 -4.66020e+03 Step Time 5366 5366.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06714e+03 6.07377e+03 1.99015e+04 2.37588e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89893e+03 1.16628e+05 5.95012e+05 -4.13014e+06 9.83534e+03 Potential Pressure (bar) -3.37658e+06 -4.66087e+03 Step Time 5367 5367.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06734e+03 6.07140e+03 1.99016e+04 2.37626e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89988e+03 1.16627e+05 5.95018e+05 -4.13015e+06 9.83531e+03 Potential Pressure (bar) -3.37658e+06 -4.65994e+03 Step Time 5368 5368.00000 Step Time 5369 5369.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05554e+03 6.07106e+03 1.99016e+04 2.37599e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89928e+03 1.16628e+05 5.95020e+05 -4.13016e+06 9.83529e+03 Potential Pressure (bar) -3.37660e+06 -4.66034e+03 Step Time 5370 5370.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07398e+03 6.07211e+03 1.99016e+04 2.37626e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89994e+03 1.16626e+05 5.95045e+05 -4.13020e+06 9.83515e+03 Potential Pressure (bar) -3.37661e+06 -4.65945e+03 Step Time 5371 5371.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05800e+03 6.07178e+03 1.99016e+04 2.37589e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89908e+03 1.16628e+05 5.95048e+05 -4.13022e+06 9.83508e+03 Potential Pressure (bar) -3.37663e+06 -4.66004e+03 Step Time 5372 5372.00000 Step Time 5373 5373.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05884e+03 6.07070e+03 1.99016e+04 2.37606e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89955e+03 1.16627e+05 5.95054e+05 -4.13022e+06 9.83509e+03 Potential Pressure (bar) -3.37663e+06 -4.65952e+03 Step Time 5374 5374.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06098e+03 6.07251e+03 1.99016e+04 2.37581e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89895e+03 1.16628e+05 5.95059e+05 -4.13024e+06 9.83510e+03 Potential Pressure (bar) -3.37664e+06 -4.66001e+03 Step Time 5375 5375.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06297e+03 6.07105e+03 1.99017e+04 2.37608e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89965e+03 1.16627e+05 5.95065e+05 -4.13025e+06 9.83506e+03 Potential Pressure (bar) -3.37664e+06 -4.65929e+03 Step Time 5376 5376.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06703e+03 6.07384e+03 1.99016e+04 2.37571e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89878e+03 1.16628e+05 5.95070e+05 -4.13026e+06 9.83503e+03 Potential Pressure (bar) -3.37664e+06 -4.66002e+03 Step Time 5377 5377.00000 Step Time 5378 5378.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05525e+03 6.07073e+03 1.99017e+04 2.37588e+02 -1.09378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89928e+03 1.16627e+05 5.95073e+05 -4.13026e+06 9.83498e+03 Potential Pressure (bar) -3.37666e+06 -4.65944e+03 Step Time 5379 5379.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07284e+03 6.07492e+03 1.99017e+04 2.37556e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89861e+03 1.16628e+05 5.95096e+05 -4.13032e+06 9.83483e+03 Potential Pressure (bar) -3.37667e+06 -4.65975e+03 Step Time 5380 5380.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05664e+03 6.07065e+03 1.99017e+04 2.37585e+02 -1.09378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89934e+03 1.16627e+05 5.95100e+05 -4.13032e+06 9.83476e+03 Potential Pressure (bar) -3.37669e+06 -4.65893e+03 Step Time 5381 5381.00000 Step Time 5382 5382.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05943e+03 6.07214e+03 1.99017e+04 2.37564e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89887e+03 1.16627e+05 5.95105e+05 -4.13034e+06 9.83473e+03 Potential Pressure (bar) -3.37670e+06 -4.65928e+03 Step Time 5383 5383.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05863e+03 6.07076e+03 1.99018e+04 2.37586e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89941e+03 1.16627e+05 5.95110e+05 -4.13035e+06 9.83470e+03 Potential Pressure (bar) -3.37670e+06 -4.65870e+03 Step Time 5384 5384.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06318e+03 6.07301e+03 1.99017e+04 2.37559e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89874e+03 1.16628e+05 5.95116e+05 -4.13036e+06 9.83474e+03 Potential Pressure (bar) -3.37671e+06 -4.65921e+03 Step Time 5385 5385.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06304e+03 6.07110e+03 1.99018e+04 2.37589e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89950e+03 1.16626e+05 5.95122e+05 -4.13037e+06 9.83467e+03 Potential Pressure (bar) -3.37671e+06 -4.65845e+03 Step Time 5386 5386.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07065e+03 6.07461e+03 1.99018e+04 2.37548e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89856e+03 1.16628e+05 5.95126e+05 -4.13039e+06 9.83467e+03 Potential Pressure (bar) -3.37671e+06 -4.65923e+03 Step Time 5387 5387.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07250e+03 6.07204e+03 1.99018e+04 2.37590e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89967e+03 1.16626e+05 5.95133e+05 -4.13040e+06 9.83465e+03 Potential Pressure (bar) -3.37671e+06 -4.65818e+03 Step Time 5388 5388.00000 Step Time 5389 5389.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05579e+03 6.07121e+03 1.99018e+04 2.37558e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89898e+03 1.16627e+05 5.95135e+05 -4.13041e+06 9.83456e+03 Potential Pressure (bar) -3.37674e+06 -4.65863e+03 Step Time 5390 5390.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08156e+03 6.07311e+03 1.99019e+04 2.37594e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89972e+03 1.16625e+05 5.95163e+05 -4.13046e+06 9.83442e+03 Potential Pressure (bar) -3.37674e+06 -4.65767e+03 Step Time 5391 5391.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05887e+03 6.07208e+03 1.99018e+04 2.37546e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89874e+03 1.16627e+05 5.95166e+05 -4.13047e+06 9.83437e+03 Potential Pressure (bar) -3.37677e+06 -4.65837e+03 Step Time 5392 5392.00000 Step Time 5393 5393.00000 Step Time 5394 5394.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05543e+03 6.07085e+03 1.99018e+04 2.37555e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89901e+03 1.16627e+05 5.95169e+05 -4.13048e+06 9.83435e+03 Potential Pressure (bar) -3.37678e+06 -4.65803e+03 Step Time 5395 5395.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06059e+03 6.07249e+03 1.99019e+04 2.37536e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89863e+03 1.16627e+05 5.95185e+05 -4.13051e+06 9.83424e+03 Potential Pressure (bar) -3.37679e+06 -4.65814e+03 Step Time 5396 5396.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05593e+03 6.07079e+03 1.99019e+04 2.37549e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89904e+03 1.16626e+05 5.95188e+05 -4.13052e+06 9.83419e+03 Potential Pressure (bar) -3.37680e+06 -4.65766e+03 Step Time 5397 5397.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06372e+03 6.07316e+03 1.99019e+04 2.37528e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89851e+03 1.16627e+05 5.95198e+05 -4.13055e+06 9.83412e+03 Potential Pressure (bar) -3.37681e+06 -4.65802e+03 Step Time 5398 5398.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05753e+03 6.07081e+03 1.99019e+04 2.37550e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89910e+03 1.16626e+05 5.95202e+05 -4.13055e+06 9.83420e+03 Potential Pressure (bar) -3.37681e+06 -4.65744e+03 Step Time 5399 5399.00000 Step Time 5400 5400.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05677e+03 6.07154e+03 1.99019e+04 2.37534e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89873e+03 1.16627e+05 5.95206e+05 -4.13056e+06 9.83409e+03 Potential Pressure (bar) -3.37682e+06 -4.65766e+03 Step Time 5401 5401.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05934e+03 6.07091e+03 1.99019e+04 2.37548e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89913e+03 1.16626e+05 5.95214e+05 -4.13057e+06 9.83408e+03 Potential Pressure (bar) -3.37682e+06 -4.65720e+03 Step Time 5402 5402.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05861e+03 6.07202e+03 1.99020e+04 2.37527e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89861e+03 1.16627e+05 5.95218e+05 -4.13059e+06 9.83404e+03 Potential Pressure (bar) -3.37683e+06 -4.65761e+03 Step Time 5403 5403.00000 Step Time 5404 5404.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05570e+03 6.07086e+03 1.99020e+04 2.37538e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89891e+03 1.16626e+05 5.95222e+05 -4.13059e+06 9.83402e+03 Potential Pressure (bar) -3.37684e+06 -4.65724e+03 Step Time 5405 5405.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06041e+03 6.07248e+03 1.99020e+04 2.37517e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89851e+03 1.16627e+05 5.95231e+05 -4.13062e+06 9.83389e+03 Potential Pressure (bar) -3.37685e+06 -4.65746e+03 Step Time 5406 5406.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05654e+03 6.07081e+03 1.99020e+04 2.37533e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89896e+03 1.16626e+05 5.95236e+05 -4.13062e+06 9.83389e+03 Potential Pressure (bar) -3.37685e+06 -4.65698e+03 Step Time 5407 5407.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06369e+03 6.07320e+03 1.99020e+04 2.37514e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89840e+03 1.16627e+05 5.95243e+05 -4.13064e+06 9.83384e+03 Potential Pressure (bar) -3.37686e+06 -4.65741e+03 Step Time 5408 5408.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05875e+03 6.07091e+03 1.99020e+04 2.37536e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89903e+03 1.16626e+05 5.95247e+05 -4.13065e+06 9.83386e+03 Potential Pressure (bar) -3.37687e+06 -4.65674e+03 Step Time 5409 5409.00000 Step Time 5410 5410.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05654e+03 6.07150e+03 1.99020e+04 2.37520e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89863e+03 1.16626e+05 5.95251e+05 -4.13066e+06 9.83377e+03 Potential Pressure (bar) -3.37688e+06 -4.65702e+03 Step Time 5411 5411.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06111e+03 6.07108e+03 1.99020e+04 2.37538e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89907e+03 1.16625e+05 5.95261e+05 -4.13068e+06 9.83373e+03 Potential Pressure (bar) -3.37688e+06 -4.65648e+03 Step Time 5412 5412.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05834e+03 6.07201e+03 1.99021e+04 2.37510e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89850e+03 1.16626e+05 5.95265e+05 -4.13069e+06 9.83372e+03 Potential Pressure (bar) -3.37689e+06 -4.65691e+03 Step Time 5413 5413.00000 Step Time 5414 5414.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05612e+03 6.07088e+03 1.99021e+04 2.37522e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89883e+03 1.16626e+05 5.95269e+05 -4.13070e+06 9.83369e+03 Potential Pressure (bar) -3.37690e+06 -4.65652e+03 Step Time 5415 5415.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06023e+03 6.07245e+03 1.99021e+04 2.37505e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89840e+03 1.16626e+05 5.95276e+05 -4.13072e+06 9.83358e+03 Potential Pressure (bar) -3.37690e+06 -4.65679e+03 Step Time 5416 5416.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05735e+03 6.07088e+03 1.99021e+04 2.37522e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89887e+03 1.16626e+05 5.95281e+05 -4.13072e+06 9.83358e+03 Potential Pressure (bar) -3.37691e+06 -4.65629e+03 Step Time 5417 5417.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06368e+03 6.07324e+03 1.99021e+04 2.37498e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89828e+03 1.16627e+05 5.95288e+05 -4.13074e+06 9.83353e+03 Potential Pressure (bar) -3.37691e+06 -4.65674e+03 Step Time 5418 5418.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06030e+03 6.07106e+03 1.99021e+04 2.37523e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89897e+03 1.16625e+05 5.95293e+05 -4.13075e+06 9.83351e+03 Potential Pressure (bar) -3.37692e+06 -4.65604e+03 Step Time 5419 5419.00000 Step Time 5420 5420.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05634e+03 6.07146e+03 1.99021e+04 2.37505e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89854e+03 1.16626e+05 5.95295e+05 -4.13076e+06 9.83345e+03 Potential Pressure (bar) -3.37693e+06 -4.65631e+03 Step Time 5421 5421.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06332e+03 6.07130e+03 1.99021e+04 2.37521e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89901e+03 1.16625e+05 5.95309e+05 -4.13078e+06 9.83338e+03 Potential Pressure (bar) -3.37694e+06 -4.65574e+03 Step Time 5422 5422.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05810e+03 6.07198e+03 1.99021e+04 2.37496e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89839e+03 1.16626e+05 5.95313e+05 -4.13079e+06 9.83338e+03 Potential Pressure (bar) -3.37695e+06 -4.65621e+03 Step Time 5423 5423.00000 Step Time 5424 5424.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05675e+03 6.07092e+03 1.99022e+04 2.37508e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89874e+03 1.16625e+05 5.95317e+05 -4.13080e+06 9.83331e+03 Potential Pressure (bar) -3.37695e+06 -4.65578e+03 Step Time 5425 5425.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05999e+03 6.07246e+03 1.99022e+04 2.37489e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89829e+03 1.16626e+05 5.95323e+05 -4.13082e+06 9.83331e+03 Potential Pressure (bar) -3.37696e+06 -4.65612e+03 Step Time 5426 5426.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05846e+03 6.07098e+03 1.99022e+04 2.37508e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89880e+03 1.16625e+05 5.95328e+05 -4.13083e+06 9.83329e+03 Potential Pressure (bar) -3.37696e+06 -4.65556e+03 Step Time 5427 5427.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06363e+03 6.07330e+03 1.99022e+04 2.37482e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89816e+03 1.16626e+05 5.95334e+05 -4.13084e+06 9.83322e+03 Potential Pressure (bar) -3.37697e+06 -4.65607e+03 Step Time 5428 5428.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06229e+03 6.07127e+03 1.99022e+04 2.37509e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89889e+03 1.16625e+05 5.95340e+05 -4.13085e+06 9.83318e+03 Potential Pressure (bar) -3.37697e+06 -4.65533e+03 Step Time 5429 5429.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07076e+03 6.07482e+03 1.99022e+04 2.37474e+02 -1.09370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89799e+03 1.16626e+05 5.95345e+05 -4.13087e+06 9.83312e+03 Potential Pressure (bar) -3.37697e+06 -4.65609e+03 Step Time 5430 5430.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07073e+03 6.07208e+03 1.99022e+04 2.37511e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89905e+03 1.16625e+05 5.95351e+05 -4.13087e+06 9.83311e+03 Potential Pressure (bar) -3.37698e+06 -4.65506e+03 Step Time 5431 5431.00000 Step Time 5432 5432.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05636e+03 6.07153e+03 1.99022e+04 2.37486e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89839e+03 1.16626e+05 5.95353e+05 -4.13088e+06 9.83305e+03 Potential Pressure (bar) -3.37700e+06 -4.65547e+03 Step Time 5433 5433.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07887e+03 6.07297e+03 1.99023e+04 2.37509e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89910e+03 1.16624e+05 5.95376e+05 -4.13093e+06 9.83297e+03 Potential Pressure (bar) -3.37700e+06 -4.65460e+03 Step Time 5434 5434.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05944e+03 6.07239e+03 1.99022e+04 2.37474e+02 -1.09370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89816e+03 1.16626e+05 5.95378e+05 -4.13094e+06 9.83286e+03 Potential Pressure (bar) -3.37703e+06 -4.65527e+03 Step Time 5435 5435.00000 Step Time 5436 5436.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06028e+03 6.07117e+03 1.99023e+04 2.37492e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89870e+03 1.16625e+05 5.95384e+05 -4.13095e+06 9.83286e+03 Potential Pressure (bar) -3.37703e+06 -4.65469e+03 Step Time 5437 5437.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06312e+03 6.07324e+03 1.99023e+04 2.37465e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89803e+03 1.16626e+05 5.95389e+05 -4.13097e+06 9.83278e+03 Potential Pressure (bar) -3.37704e+06 -4.65525e+03 Step Time 5438 5438.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06535e+03 6.07161e+03 1.99023e+04 2.37496e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89881e+03 1.16624e+05 5.95395e+05 -4.13097e+06 9.83279e+03 Potential Pressure (bar) -3.37704e+06 -4.65443e+03 Step Time 5439 5439.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07060e+03 6.07484e+03 1.99023e+04 2.37460e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89785e+03 1.16626e+05 5.95400e+05 -4.13099e+06 9.83277e+03 Potential Pressure (bar) -3.37704e+06 -4.65528e+03 Step Time 5440 5440.00000 Step Time 5441 5441.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05595e+03 6.07113e+03 1.99023e+04 2.37478e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89841e+03 1.16625e+05 5.95403e+05 -4.13099e+06 9.83274e+03 Potential Pressure (bar) -3.37706e+06 -4.65462e+03 Step Time 5442 5442.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07780e+03 6.07621e+03 1.99023e+04 2.37445e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89766e+03 1.16626e+05 5.95427e+05 -4.13105e+06 9.83253e+03 Potential Pressure (bar) -3.37707e+06 -4.65510e+03 Step Time 5443 5443.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05759e+03 6.07107e+03 1.99024e+04 2.37473e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89847e+03 1.16625e+05 5.95431e+05 -4.13106e+06 9.83249e+03 Potential Pressure (bar) -3.37709e+06 -4.65411e+03 Step Time 5444 5444.00000 Step Time 5445 5445.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06117e+03 6.07283e+03 1.99024e+04 2.37449e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89796e+03 1.16626e+05 5.95436e+05 -4.13107e+06 9.83244e+03 Potential Pressure (bar) -3.37710e+06 -4.65452e+03 Step Time 5446 5446.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06003e+03 6.07118e+03 1.99024e+04 2.37471e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89854e+03 1.16625e+05 5.95442e+05 -4.13108e+06 9.83244e+03 Potential Pressure (bar) -3.37710e+06 -4.65390e+03 Step Time 5447 5447.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06584e+03 6.07389e+03 1.99024e+04 2.37442e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89782e+03 1.16626e+05 5.95447e+05 -4.13109e+06 9.83241e+03 Potential Pressure (bar) -3.37710e+06 -4.65451e+03 Step Time 5448 5448.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06539e+03 6.07162e+03 1.99024e+04 2.37475e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89867e+03 1.16624e+05 5.95452e+05 -4.13110e+06 9.83240e+03 Potential Pressure (bar) -3.37711e+06 -4.65364e+03 Step Time 5449 5449.00000 Step Time 5450 5450.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05640e+03 6.07158e+03 1.99024e+04 2.37454e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89814e+03 1.16625e+05 5.95455e+05 -4.13111e+06 9.83230e+03 Potential Pressure (bar) -3.37713e+06 -4.65401e+03 Step Time 5451 5451.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07062e+03 6.07218e+03 1.99025e+04 2.37469e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89870e+03 1.16624e+05 5.95478e+05 -4.13116e+06 9.83220e+03 Potential Pressure (bar) -3.37714e+06 -4.65320e+03 Step Time 5452 5452.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05846e+03 6.07222e+03 1.99024e+04 2.37439e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89794e+03 1.16625e+05 5.95480e+05 -4.13117e+06 9.83212e+03 Potential Pressure (bar) -3.37716e+06 -4.65377e+03 Step Time 5453 5453.00000 Step Time 5454 5454.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05880e+03 6.07117e+03 1.99025e+04 2.37456e+02 -1.09370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89838e+03 1.16624e+05 5.95486e+05 -4.13118e+06 9.83212e+03 Potential Pressure (bar) -3.37716e+06 -4.65330e+03 Step Time 5455 5455.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06086e+03 6.07284e+03 1.99025e+04 2.37434e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89783e+03 1.16625e+05 5.95491e+05 -4.13119e+06 9.83207e+03 Potential Pressure (bar) -3.37717e+06 -4.65373e+03 Step Time 5456 5456.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06202e+03 6.07140e+03 1.99025e+04 2.37458e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89846e+03 1.16624e+05 5.95497e+05 -4.13120e+06 9.83203e+03 Potential Pressure (bar) -3.37717e+06 -4.65306e+03 Step Time 5457 5457.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06577e+03 6.07394e+03 1.99025e+04 2.37427e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89768e+03 1.16625e+05 5.95502e+05 -4.13122e+06 9.83196e+03 Potential Pressure (bar) -3.37717e+06 -4.65372e+03 Step Time 5458 5458.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06879e+03 6.07204e+03 1.99025e+04 2.37458e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89859e+03 1.16624e+05 5.95508e+05 -4.13123e+06 9.83193e+03 Potential Pressure (bar) -3.37718e+06 -4.65282e+03 Step Time 5459 5459.00000 Step Time 5460 5460.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05629e+03 6.07154e+03 1.99025e+04 2.37435e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89802e+03 1.16625e+05 5.95510e+05 -4.13123e+06 9.83188e+03 Potential Pressure (bar) -3.37719e+06 -4.65321e+03 Step Time 5461 5461.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07510e+03 6.07284e+03 1.99026e+04 2.37452e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89858e+03 1.16623e+05 5.95554e+05 -4.13132e+06 9.83164e+03 Potential Pressure (bar) -3.37722e+06 -4.65209e+03 Step Time 5462 5462.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05821e+03 6.07213e+03 1.99026e+04 2.37421e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89775e+03 1.16625e+05 5.95556e+05 -4.13133e+06 9.83158e+03 Potential Pressure (bar) -3.37725e+06 -4.65267e+03 Step Time 5463 5463.00000 Step Time 5464 5464.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06035e+03 6.07141e+03 1.99026e+04 2.37437e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89821e+03 1.16624e+05 5.95563e+05 -4.13135e+06 9.83155e+03 Potential Pressure (bar) -3.37725e+06 -4.65213e+03 Step Time 5465 5465.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06062e+03 6.07275e+03 1.99026e+04 2.37408e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89764e+03 1.16625e+05 5.95568e+05 -4.13136e+06 9.83152e+03 Potential Pressure (bar) -3.37726e+06 -4.65260e+03 Step Time 5466 5466.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06450e+03 6.07178e+03 1.99027e+04 2.37435e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89831e+03 1.16623e+05 5.95574e+05 -4.13137e+06 9.83147e+03 Potential Pressure (bar) -3.37726e+06 -4.65189e+03 Step Time 5467 5467.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06574e+03 6.07391e+03 1.99026e+04 2.37401e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89748e+03 1.16625e+05 5.95579e+05 -4.13139e+06 9.83139e+03 Potential Pressure (bar) -3.37727e+06 -4.65261e+03 Step Time 5468 5468.00000 Step Time 5469 5469.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05646e+03 6.07134e+03 1.99026e+04 2.37418e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89796e+03 1.16624e+05 5.95582e+05 -4.13139e+06 9.83133e+03 Potential Pressure (bar) -3.37728e+06 -4.65205e+03 Step Time 5470 5470.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07068e+03 6.07486e+03 1.99027e+04 2.37393e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89733e+03 1.16625e+05 5.95597e+05 -4.13143e+06 9.83132e+03 Potential Pressure (bar) -3.37728e+06 -4.65248e+03 Step Time 5471 5471.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05808e+03 6.07131e+03 1.99027e+04 2.37415e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89802e+03 1.16624e+05 5.95600e+05 -4.13143e+06 9.83125e+03 Potential Pressure (bar) -3.37730e+06 -4.65170e+03 Step Time 5472 5472.00000 Step Time 5473 5473.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05931e+03 6.07247e+03 1.99027e+04 2.37399e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89758e+03 1.16625e+05 5.95605e+05 -4.13144e+06 9.83123e+03 Potential Pressure (bar) -3.37730e+06 -4.65204e+03 Step Time 5474 5474.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06018e+03 6.07143e+03 1.99027e+04 2.37418e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89808e+03 1.16624e+05 5.95611e+05 -4.13146e+06 9.83115e+03 Potential Pressure (bar) -3.37731e+06 -4.65150e+03 Step Time 5475 5475.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06244e+03 6.07321e+03 1.99027e+04 2.37391e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89746e+03 1.16625e+05 5.95616e+05 -4.13147e+06 9.83111e+03 Potential Pressure (bar) -3.37732e+06 -4.65198e+03 Step Time 5476 5476.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06456e+03 6.07180e+03 1.99027e+04 2.37417e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89818e+03 1.16623e+05 5.95622e+05 -4.13148e+06 9.83110e+03 Potential Pressure (bar) -3.37732e+06 -4.65125e+03 Step Time 5477 5477.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06882e+03 6.07461e+03 1.99027e+04 2.37380e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89729e+03 1.16625e+05 5.95626e+05 -4.13149e+06 9.83100e+03 Potential Pressure (bar) -3.37732e+06 -4.65203e+03 Step Time 5478 5478.00000 Step Time 5479 5479.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05641e+03 6.07142e+03 1.99027e+04 2.37397e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89780e+03 1.16624e+05 5.95629e+05 -4.13150e+06 9.83097e+03 Potential Pressure (bar) -3.37734e+06 -4.65140e+03 Step Time 5480 5480.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07496e+03 6.07575e+03 1.99028e+04 2.37381e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89713e+03 1.16625e+05 5.95651e+05 -4.13155e+06 9.83084e+03 Potential Pressure (bar) -3.37735e+06 -4.65181e+03 Step Time 5481 5481.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05787e+03 6.07135e+03 1.99028e+04 2.37403e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89786e+03 1.16623e+05 5.95654e+05 -4.13155e+06 9.83087e+03 Potential Pressure (bar) -3.37737e+06 -4.65094e+03 Step Time 5482 5482.00000 Step Time 5483 5483.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06082e+03 6.07287e+03 1.99028e+04 2.37382e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89739e+03 1.16624e+05 5.95660e+05 -4.13157e+06 9.83085e+03 Potential Pressure (bar) -3.37738e+06 -4.65129e+03 Step Time 5484 5484.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06000e+03 6.07146e+03 1.99028e+04 2.37403e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89792e+03 1.16623e+05 5.95665e+05 -4.13158e+06 9.83081e+03 Potential Pressure (bar) -3.37738e+06 -4.65071e+03 Step Time 5485 5485.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06477e+03 6.07378e+03 1.99028e+04 2.37375e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89725e+03 1.16624e+05 5.95670e+05 -4.13159e+06 9.83072e+03 Potential Pressure (bar) -3.37739e+06 -4.65127e+03 Step Time 5486 5486.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06465e+03 6.07185e+03 1.99028e+04 2.37405e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89803e+03 1.16623e+05 5.95675e+05 -4.13160e+06 9.83066e+03 Potential Pressure (bar) -3.37739e+06 -4.65048e+03 Step Time 5487 5487.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07266e+03 6.07546e+03 1.99028e+04 2.37365e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89707e+03 1.16625e+05 5.95680e+05 -4.13162e+06 9.83062e+03 Potential Pressure (bar) -3.37739e+06 -4.65133e+03 Step Time 5488 5488.00000 Step Time 5489 5489.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05645e+03 6.07154e+03 1.99029e+04 2.37386e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89762e+03 1.16624e+05 5.95683e+05 -4.13162e+06 9.83058e+03 Potential Pressure (bar) -3.37741e+06 -4.65067e+03 Step Time 5490 5490.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08034e+03 6.07666e+03 1.99029e+04 2.37354e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89681e+03 1.16625e+05 5.95724e+05 -4.13171e+06 9.83025e+03 Potential Pressure (bar) -3.37743e+06 -4.65085e+03 Step Time 5491 5491.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05770e+03 6.07143e+03 1.99029e+04 2.37382e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89763e+03 1.16623e+05 5.95727e+05 -4.13172e+06 9.83024e+03 Potential Pressure (bar) -3.37746e+06 -4.64995e+03 Step Time 5492 5492.00000 Step Time 5493 5493.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06276e+03 6.07332e+03 1.99029e+04 2.37353e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89713e+03 1.16624e+05 5.95734e+05 -4.13173e+06 9.83016e+03 Potential Pressure (bar) -3.37747e+06 -4.65029e+03 Step Time 5494 5494.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05986e+03 6.07155e+03 1.99030e+04 2.37380e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89771e+03 1.16623e+05 5.95738e+05 -4.13174e+06 9.83018e+03 Potential Pressure (bar) -3.37747e+06 -4.64971e+03 Step Time 5495 5495.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06771e+03 6.07441e+03 1.99029e+04 2.37346e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89699e+03 1.16624e+05 5.95744e+05 -4.13176e+06 9.83011e+03 Potential Pressure (bar) -3.37747e+06 -4.65029e+03 Step Time 5496 5496.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06480e+03 6.07197e+03 1.99030e+04 2.37384e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89783e+03 1.16623e+05 5.95749e+05 -4.13176e+06 9.83013e+03 Potential Pressure (bar) -3.37748e+06 -4.64943e+03 Step Time 5497 5497.00000 Step Time 5498 5498.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05732e+03 6.07203e+03 1.99030e+04 2.37360e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89730e+03 1.16623e+05 5.95752e+05 -4.13177e+06 9.83004e+03 Potential Pressure (bar) -3.37749e+06 -4.64979e+03 Step Time 5499 5499.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06973e+03 6.07247e+03 1.99030e+04 2.37381e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89789e+03 1.16622e+05 5.95768e+05 -4.13180e+06 9.83002e+03 Potential Pressure (bar) -3.37750e+06 -4.64915e+03 Step Time 5500 5500.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05969e+03 6.07270e+03 1.99030e+04 2.37344e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89713e+03 1.16624e+05 5.95770e+05 -4.13181e+06 9.82994e+03 Potential Pressure (bar) -3.37751e+06 -4.64969e+03 Step Time 5501 5501.00000 Step Time 5502 5502.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05880e+03 6.07153e+03 1.99030e+04 2.37366e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89756e+03 1.16623e+05 5.95776e+05 -4.13182e+06 9.82992e+03 Potential Pressure (bar) -3.37752e+06 -4.64922e+03 Step Time 5503 5503.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06235e+03 6.07334e+03 1.99030e+04 2.37343e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89702e+03 1.16624e+05 5.95781e+05 -4.13184e+06 9.82984e+03 Potential Pressure (bar) -3.37752e+06 -4.64960e+03 Step Time 5504 5504.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06169e+03 6.07174e+03 1.99030e+04 2.37368e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89765e+03 1.16623e+05 5.95786e+05 -4.13184e+06 9.82987e+03 Potential Pressure (bar) -3.37753e+06 -4.64899e+03 Step Time 5505 5505.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06759e+03 6.07449e+03 1.99030e+04 2.37334e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89687e+03 1.16624e+05 5.95791e+05 -4.13186e+06 9.82982e+03 Potential Pressure (bar) -3.37753e+06 -4.64962e+03 Step Time 5506 5506.00000 Step Time 5507 5507.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05666e+03 6.07170e+03 1.99030e+04 2.37351e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89731e+03 1.16623e+05 5.95793e+05 -4.13186e+06 9.82976e+03 Potential Pressure (bar) -3.37754e+06 -4.64910e+03 Step Time 5508 5508.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07280e+03 6.07528e+03 1.99031e+04 2.37322e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89666e+03 1.16624e+05 5.95839e+05 -4.13198e+06 9.82939e+03 Potential Pressure (bar) -3.37759e+06 -4.64904e+03 Step Time 5509 5509.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05744e+03 6.07158e+03 1.99031e+04 2.37347e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89728e+03 1.16623e+05 5.95843e+05 -4.13198e+06 9.82934e+03 Potential Pressure (bar) -3.37761e+06 -4.64833e+03 Step Time 5510 5510.00000 Step Time 5511 5511.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06105e+03 6.07303e+03 1.99031e+04 2.37323e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89688e+03 1.16623e+05 5.95849e+05 -4.13199e+06 9.82927e+03 Potential Pressure (bar) -3.37761e+06 -4.64862e+03 Step Time 5512 5512.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05873e+03 6.07163e+03 1.99031e+04 2.37344e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89734e+03 1.16622e+05 5.95854e+05 -4.13200e+06 9.82931e+03 Potential Pressure (bar) -3.37762e+06 -4.64812e+03 Step Time 5513 5513.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06438e+03 6.07376e+03 1.99031e+04 2.37316e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89676e+03 1.16623e+05 5.95860e+05 -4.13201e+06 9.82928e+03 Potential Pressure (bar) -3.37762e+06 -4.64855e+03 Step Time 5514 5514.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06181e+03 6.07185e+03 1.99032e+04 2.37345e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89743e+03 1.16622e+05 5.95865e+05 -4.13202e+06 9.82925e+03 Potential Pressure (bar) -3.37763e+06 -4.64789e+03 Step Time 5515 5515.00000 Step Time 5516 5516.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05739e+03 6.07209e+03 1.99032e+04 2.37325e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89701e+03 1.16623e+05 5.95868e+05 -4.13203e+06 9.82916e+03 Potential Pressure (bar) -3.37764e+06 -4.64819e+03 Step Time 5517 5517.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06494e+03 6.07215e+03 1.99032e+04 2.37342e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89746e+03 1.16622e+05 5.95883e+05 -4.13206e+06 9.82913e+03 Potential Pressure (bar) -3.37765e+06 -4.64759e+03 Step Time 5518 5518.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05901e+03 6.07259e+03 1.99032e+04 2.37316e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89686e+03 1.16623e+05 5.95885e+05 -4.13207e+06 9.82902e+03 Potential Pressure (bar) -3.37766e+06 -4.64802e+03 Step Time 5519 5519.00000 Step Time 5520 5520.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05810e+03 6.07166e+03 1.99032e+04 2.37332e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89721e+03 1.16622e+05 5.95890e+05 -4.13208e+06 9.82902e+03 Potential Pressure (bar) -3.37766e+06 -4.64763e+03 Step Time 5521 5521.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06081e+03 6.07303e+03 1.99032e+04 2.37311e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89676e+03 1.16623e+05 5.95896e+05 -4.13209e+06 9.82898e+03 Potential Pressure (bar) -3.37767e+06 -4.64795e+03 Step Time 5522 5522.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05990e+03 6.07176e+03 1.99032e+04 2.37331e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89726e+03 1.16622e+05 5.95900e+05 -4.13210e+06 9.82896e+03 Potential Pressure (bar) -3.37768e+06 -4.64743e+03 Step Time 5523 5523.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06429e+03 6.07383e+03 1.99032e+04 2.37301e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89664e+03 1.16623e+05 5.95906e+05 -4.13212e+06 9.82890e+03 Potential Pressure (bar) -3.37768e+06 -4.64792e+03 Step Time 5524 5524.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06387e+03 6.07207e+03 1.99033e+04 2.37334e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89736e+03 1.16622e+05 5.95912e+05 -4.13213e+06 9.82888e+03 Potential Pressure (bar) -3.37768e+06 -4.64721e+03 Step Time 5525 5525.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07119e+03 6.07528e+03 1.99032e+04 2.37296e+02 -1.09359e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89647e+03 1.16623e+05 5.95916e+05 -4.13214e+06 9.82877e+03 Potential Pressure (bar) -3.37769e+06 -4.64795e+03 Step Time 5526 5526.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07244e+03 6.07294e+03 1.99033e+04 2.37341e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89752e+03 1.16621e+05 5.95922e+05 -4.13215e+06 9.82884e+03 Potential Pressure (bar) -3.37769e+06 -4.64698e+03 Step Time 5527 5527.00000 Step Time 5528 5528.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05741e+03 6.07216e+03 1.99033e+04 2.37311e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89687e+03 1.16623e+05 5.95924e+05 -4.13216e+06 9.82871e+03 Potential Pressure (bar) -3.37771e+06 -4.64741e+03 Step Time 5529 5529.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08067e+03 6.07385e+03 1.99033e+04 2.37337e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89754e+03 1.16621e+05 5.95950e+05 -4.13221e+06 9.82862e+03 Potential Pressure (bar) -3.37771e+06 -4.64652e+03 Step Time 5530 5530.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06028e+03 6.07297e+03 1.99033e+04 2.37301e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89664e+03 1.16623e+05 5.95952e+05 -4.13222e+06 9.82851e+03 Potential Pressure (bar) -3.37774e+06 -4.64717e+03 Step Time 5531 5531.00000 Step Time 5532 5532.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06178e+03 6.07194e+03 1.99033e+04 2.37318e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89717e+03 1.16622e+05 5.95958e+05 -4.13223e+06 9.82850e+03 Potential Pressure (bar) -3.37775e+06 -4.64664e+03 Step Time 5533 5533.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06379e+03 6.07379e+03 1.99033e+04 2.37290e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89651e+03 1.16623e+05 5.95962e+05 -4.13225e+06 9.82844e+03 Potential Pressure (bar) -3.37775e+06 -4.64717e+03 Step Time 5534 5534.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06695e+03 6.07240e+03 1.99034e+04 2.37319e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89728e+03 1.16621e+05 5.95968e+05 -4.13226e+06 9.82843e+03 Potential Pressure (bar) -3.37776e+06 -4.64640e+03 Step Time 5535 5535.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07099e+03 6.07533e+03 1.99033e+04 2.37282e+02 -1.09359e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89633e+03 1.16623e+05 5.95973e+05 -4.13228e+06 9.82837e+03 Potential Pressure (bar) -3.37776e+06 -4.64718e+03 Step Time 5536 5536.00000 Step Time 5537 5537.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05719e+03 6.07182e+03 1.99034e+04 2.37304e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89687e+03 1.16622e+05 5.95976e+05 -4.13228e+06 9.82834e+03 Potential Pressure (bar) -3.37778e+06 -4.64656e+03 Step Time 5538 5538.00000 Step Time 5539 5539.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06143e+03 6.07325e+03 1.99034e+04 2.37288e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89651e+03 1.16623e+05 5.95985e+05 -4.13230e+06 9.82826e+03 Potential Pressure (bar) -3.37778e+06 -4.64674e+03 Step Time 5540 5540.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05785e+03 6.07176e+03 1.99034e+04 2.37301e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89691e+03 1.16622e+05 5.95989e+05 -4.13230e+06 9.82827e+03 Potential Pressure (bar) -3.37779e+06 -4.64630e+03 Step Time 5541 5541.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06429e+03 6.07390e+03 1.99034e+04 2.37282e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89640e+03 1.16623e+05 5.95996e+05 -4.13232e+06 9.82823e+03 Potential Pressure (bar) -3.37779e+06 -4.64670e+03 Step Time 5542 5542.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05965e+03 6.07180e+03 1.99034e+04 2.37305e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89697e+03 1.16622e+05 5.96001e+05 -4.13233e+06 9.82820e+03 Potential Pressure (bar) -3.37780e+06 -4.64608e+03 Step Time 5543 5543.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06959e+03 6.07506e+03 1.99034e+04 2.37276e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89626e+03 1.16623e+05 5.96007e+05 -4.13235e+06 9.82810e+03 Potential Pressure (bar) -3.37780e+06 -4.64667e+03 Step Time 5544 5544.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06408e+03 6.07214e+03 1.99034e+04 2.37304e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89709e+03 1.16621e+05 5.96012e+05 -4.13235e+06 9.82812e+03 Potential Pressure (bar) -3.37781e+06 -4.64584e+03 Step Time 5545 5545.00000 Step Time 5546 5546.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05826e+03 6.07248e+03 1.99034e+04 2.37283e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89656e+03 1.16622e+05 5.96015e+05 -4.13236e+06 9.82800e+03 Potential Pressure (bar) -3.37782e+06 -4.64621e+03 Step Time 5547 5547.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06861e+03 6.07257e+03 1.99035e+04 2.37309e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89715e+03 1.16621e+05 5.96027e+05 -4.13239e+06 9.82803e+03 Potential Pressure (bar) -3.37783e+06 -4.64553e+03 Step Time 5548 5548.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06097e+03 6.07321e+03 1.99035e+04 2.37279e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89641e+03 1.16622e+05 5.96030e+05 -4.13240e+06 9.82794e+03 Potential Pressure (bar) -3.37784e+06 -4.64611e+03 Step Time 5549 5549.00000 Step Time 5550 5550.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05872e+03 6.07181e+03 1.99035e+04 2.37293e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89684e+03 1.16622e+05 5.96034e+05 -4.13241e+06 9.82786e+03 Potential Pressure (bar) -3.37785e+06 -4.64563e+03 Step Time 5551 5551.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06388e+03 6.07389e+03 1.99035e+04 2.37273e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89630e+03 1.16622e+05 5.96040e+05 -4.13243e+06 9.82783e+03 Potential Pressure (bar) -3.37786e+06 -4.64605e+03 Step Time 5552 5552.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06125e+03 6.07195e+03 1.99035e+04 2.37294e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89691e+03 1.16621e+05 5.96045e+05 -4.13243e+06 9.82786e+03 Potential Pressure (bar) -3.37786e+06 -4.64541e+03 Step Time 5553 5553.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06947e+03 6.07511e+03 1.99035e+04 2.37264e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89615e+03 1.16623e+05 5.96050e+05 -4.13245e+06 9.82782e+03 Potential Pressure (bar) -3.37786e+06 -4.64609e+03 Step Time 5554 5554.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06705e+03 6.07243e+03 1.99035e+04 2.37297e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89704e+03 1.16621e+05 5.96055e+05 -4.13246e+06 9.82778e+03 Potential Pressure (bar) -3.37787e+06 -4.64519e+03 Step Time 5555 5555.00000 Step Time 5556 5556.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05795e+03 6.07241e+03 1.99035e+04 2.37274e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89648e+03 1.16622e+05 5.96058e+05 -4.13246e+06 9.82777e+03 Potential Pressure (bar) -3.37788e+06 -4.64557e+03 Step Time 5557 5557.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07267e+03 6.07303e+03 1.99036e+04 2.37292e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89710e+03 1.16621e+05 5.96074e+05 -4.13250e+06 9.82755e+03 Potential Pressure (bar) -3.37788e+06 -4.64485e+03 Step Time 5558 5558.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06052e+03 6.07315e+03 1.99035e+04 2.37264e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89630e+03 1.16622e+05 5.96077e+05 -4.13251e+06 9.82754e+03 Potential Pressure (bar) -3.37791e+06 -4.64546e+03 Step Time 5559 5559.00000 Step Time 5560 5560.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05992e+03 6.07191e+03 1.99036e+04 2.37280e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89675e+03 1.16621e+05 5.96082e+05 -4.13252e+06 9.82756e+03 Potential Pressure (bar) -3.37791e+06 -4.64494e+03 Step Time 5561 5561.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06348e+03 6.07385e+03 1.99036e+04 2.37260e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89617e+03 1.16622e+05 5.96087e+05 -4.13253e+06 9.82754e+03 Potential Pressure (bar) -3.37792e+06 -4.64542e+03 Step Time 5562 5562.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06334e+03 6.07215e+03 1.99036e+04 2.37283e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89684e+03 1.16621e+05 5.96092e+05 -4.13254e+06 9.82748e+03 Potential Pressure (bar) -3.37792e+06 -4.64473e+03 Step Time 5563 5563.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06935e+03 6.07514e+03 1.99036e+04 2.37252e+02 -1.09359e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89601e+03 1.16622e+05 5.96097e+05 -4.13256e+06 9.82745e+03 Potential Pressure (bar) -3.37793e+06 -4.64543e+03 Step Time 5564 5564.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07072e+03 6.07283e+03 1.99036e+04 2.37287e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89698e+03 1.16621e+05 5.96103e+05 -4.13257e+06 9.82742e+03 Potential Pressure (bar) -3.37793e+06 -4.64448e+03 Step Time 5565 5565.00000 Step Time 5566 5566.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05769e+03 6.07235e+03 1.99036e+04 2.37263e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89637e+03 1.16622e+05 5.96105e+05 -4.13258e+06 9.82735e+03 Potential Pressure (bar) -3.37795e+06 -4.64489e+03 Step Time 5567 5567.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07780e+03 6.07361e+03 1.99036e+04 2.37287e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89703e+03 1.16620e+05 5.96132e+05 -4.13263e+06 9.82720e+03 Potential Pressure (bar) -3.37796e+06 -4.64402e+03 Step Time 5568 5568.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06011e+03 6.07306e+03 1.99036e+04 2.37253e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89617e+03 1.16622e+05 5.96135e+05 -4.13265e+06 9.82712e+03 Potential Pressure (bar) -3.37799e+06 -4.64462e+03 Step Time 5569 5569.00000 Step Time 5570 5570.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06154e+03 6.07207e+03 1.99037e+04 2.37268e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89665e+03 1.16621e+05 5.96141e+05 -4.13266e+06 9.82712e+03 Potential Pressure (bar) -3.37799e+06 -4.64409e+03 Step Time 5571 5571.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06307e+03 6.07380e+03 1.99036e+04 2.37245e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89604e+03 1.16622e+05 5.96145e+05 -4.13267e+06 9.82708e+03 Potential Pressure (bar) -3.37800e+06 -4.64459e+03 Step Time 5572 5572.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06602e+03 6.07244e+03 1.99037e+04 2.37270e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89675e+03 1.16621e+05 5.96151e+05 -4.13268e+06 9.82705e+03 Potential Pressure (bar) -3.37800e+06 -4.64386e+03 Step Time 5573 5573.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06920e+03 6.07516e+03 1.99037e+04 2.37237e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89587e+03 1.16622e+05 5.96155e+05 -4.13269e+06 9.82700e+03 Potential Pressure (bar) -3.37800e+06 -4.64464e+03 Step Time 5574 5574.00000 Step Time 5575 5575.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05755e+03 6.07203e+03 1.99037e+04 2.37253e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89637e+03 1.16621e+05 5.96158e+05 -4.13270e+06 9.82698e+03 Potential Pressure (bar) -3.37802e+06 -4.64405e+03 Step Time 5576 5576.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07509e+03 6.07628e+03 1.99037e+04 2.37228e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89573e+03 1.16622e+05 5.96177e+05 -4.13274e+06 9.82682e+03 Potential Pressure (bar) -3.37802e+06 -4.64447e+03 Step Time 5577 5577.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05914e+03 6.07197e+03 1.99037e+04 2.37254e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89645e+03 1.16621e+05 5.96180e+05 -4.13274e+06 9.82683e+03 Potential Pressure (bar) -3.37804e+06 -4.64362e+03 Step Time 5578 5578.00000 Step Time 5579 5579.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06148e+03 6.07344e+03 1.99037e+04 2.37236e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89598e+03 1.16622e+05 5.96185e+05 -4.13276e+06 9.82677e+03 Potential Pressure (bar) -3.37805e+06 -4.64398e+03 Step Time 5580 5580.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06134e+03 6.07210e+03 1.99038e+04 2.37256e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89651e+03 1.16621e+05 5.96190e+05 -4.13277e+06 9.82675e+03 Potential Pressure (bar) -3.37805e+06 -4.64340e+03 Step Time 5581 5581.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06527e+03 6.07433e+03 1.99037e+04 2.37229e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89584e+03 1.16622e+05 5.96195e+05 -4.13278e+06 9.82668e+03 Potential Pressure (bar) -3.37806e+06 -4.64396e+03 Step Time 5582 5582.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06608e+03 6.07249e+03 1.99038e+04 2.37258e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89662e+03 1.16620e+05 5.96200e+05 -4.13279e+06 9.82671e+03 Potential Pressure (bar) -3.37806e+06 -4.64320e+03 Step Time 5583 5583.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07288e+03 6.07597e+03 1.99038e+04 2.37221e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89567e+03 1.16622e+05 5.96205e+05 -4.13281e+06 9.82666e+03 Potential Pressure (bar) -3.37806e+06 -4.64402e+03 Step Time 5584 5584.00000 Step Time 5585 5585.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05754e+03 6.07217e+03 1.99038e+04 2.37243e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89621e+03 1.16621e+05 5.96208e+05 -4.13281e+06 9.82657e+03 Potential Pressure (bar) -3.37808e+06 -4.64336e+03 Step Time 5586 5586.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08018e+03 6.07717e+03 1.99038e+04 2.37200e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89547e+03 1.16622e+05 5.96238e+05 -4.13288e+06 9.82638e+03 Potential Pressure (bar) -3.37809e+06 -4.64372e+03 Step Time 5587 5587.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05893e+03 6.07204e+03 1.99038e+04 2.37236e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89626e+03 1.16621e+05 5.96241e+05 -4.13288e+06 9.82634e+03 Potential Pressure (bar) -3.37812e+06 -4.64285e+03 Step Time 5588 5588.00000 Step Time 5589 5589.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06330e+03 6.07389e+03 1.99038e+04 2.37214e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89575e+03 1.16621e+05 5.96247e+05 -4.13290e+06 9.82627e+03 Potential Pressure (bar) -3.37813e+06 -4.64319e+03 Step Time 5590 5590.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06114e+03 6.07216e+03 1.99039e+04 2.37241e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89634e+03 1.16620e+05 5.96252e+05 -4.13291e+06 9.82626e+03 Potential Pressure (bar) -3.37813e+06 -4.64262e+03 Step Time 5591 5591.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06807e+03 6.07494e+03 1.99038e+04 2.37207e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89562e+03 1.16622e+05 5.96257e+05 -4.13292e+06 9.82624e+03 Potential Pressure (bar) -3.37813e+06 -4.64318e+03 Step Time 5592 5592.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06619e+03 6.07258e+03 1.99039e+04 2.37242e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89645e+03 1.16620e+05 5.96262e+05 -4.13293e+06 9.82623e+03 Potential Pressure (bar) -3.37814e+06 -4.64237e+03 Step Time 5593 5593.00000 Step Time 5594 5594.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05821e+03 6.07262e+03 1.99039e+04 2.37219e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89593e+03 1.16621e+05 5.96264e+05 -4.13294e+06 9.82619e+03 Potential Pressure (bar) -3.37815e+06 -4.64273e+03 Step Time 5595 5595.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07117e+03 6.07306e+03 1.99039e+04 2.37245e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89651e+03 1.16620e+05 5.96282e+05 -4.13298e+06 9.82610e+03 Potential Pressure (bar) -3.37816e+06 -4.64204e+03 Step Time 5596 5596.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06041e+03 6.07325e+03 1.99039e+04 2.37211e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89576e+03 1.16621e+05 5.96285e+05 -4.13299e+06 9.82608e+03 Potential Pressure (bar) -3.37818e+06 -4.64261e+03 Step Time 5597 5597.00000 Step Time 5598 5598.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06005e+03 6.07213e+03 1.99039e+04 2.37228e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89618e+03 1.16620e+05 5.96290e+05 -4.13300e+06 9.82604e+03 Potential Pressure (bar) -3.37818e+06 -4.64210e+03 Step Time 5599 5599.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06293e+03 6.07388e+03 1.99039e+04 2.37206e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89565e+03 1.16621e+05 5.96295e+05 -4.13301e+06 9.82600e+03 Potential Pressure (bar) -3.37819e+06 -4.64252e+03 Step Time 5600 5600.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06303e+03 6.07233e+03 1.99039e+04 2.37230e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89626e+03 1.16620e+05 5.96300e+05 -4.13302e+06 9.82592e+03 Potential Pressure (bar) -3.37819e+06 -4.64191e+03 Step Time 5601 5601.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06794e+03 6.07501e+03 1.99039e+04 2.37199e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89550e+03 1.16621e+05 5.96305e+05 -4.13303e+06 9.82585e+03 Potential Pressure (bar) -3.37820e+06 -4.64255e+03 Step Time 5602 5602.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06943e+03 6.07291e+03 1.99040e+04 2.37234e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89639e+03 1.16620e+05 5.96310e+05 -4.13304e+06 9.82585e+03 Potential Pressure (bar) -3.37820e+06 -4.64168e+03 Step Time 5603 5603.00000 Step Time 5604 5604.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05804e+03 6.07256e+03 1.99040e+04 2.37206e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89583e+03 1.16621e+05 5.96312e+05 -4.13305e+06 9.82577e+03 Potential Pressure (bar) -3.37821e+06 -4.64205e+03 Step Time 5605 5605.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07547e+03 6.07361e+03 1.99040e+04 2.37246e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89643e+03 1.16620e+05 5.96341e+05 -4.13311e+06 9.82559e+03 Potential Pressure (bar) -3.37823e+06 -4.64119e+03 Step Time 5606 5606.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06007e+03 6.07320e+03 1.99040e+04 2.37206e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89561e+03 1.16621e+05 5.96344e+05 -4.13312e+06 9.82558e+03 Potential Pressure (bar) -3.37825e+06 -4.64177e+03 Step Time 5607 5607.00000 Step Time 5608 5608.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06147e+03 6.07228e+03 1.99040e+04 2.37216e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89607e+03 1.16620e+05 5.96350e+05 -4.13313e+06 9.82554e+03 Potential Pressure (bar) -3.37826e+06 -4.64127e+03 Step Time 5609 5609.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06261e+03 6.07384e+03 1.99040e+04 2.37190e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89549e+03 1.16621e+05 5.96354e+05 -4.13315e+06 9.82549e+03 Potential Pressure (bar) -3.37827e+06 -4.64175e+03 Step Time 5610 5610.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06535e+03 6.07260e+03 1.99040e+04 2.37217e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89616e+03 1.16620e+05 5.96360e+05 -4.13316e+06 9.82544e+03 Potential Pressure (bar) -3.37827e+06 -4.64105e+03 Step Time 5611 5611.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06784e+03 6.07503e+03 1.99040e+04 2.37182e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89533e+03 1.16621e+05 5.96364e+05 -4.13317e+06 9.82547e+03 Potential Pressure (bar) -3.37827e+06 -4.64174e+03 Step Time 5612 5612.00000 Step Time 5613 5613.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05796e+03 6.07228e+03 1.99040e+04 2.37199e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89581e+03 1.16620e+05 5.96367e+05 -4.13317e+06 9.82540e+03 Potential Pressure (bar) -3.37829e+06 -4.64121e+03 Step Time 5614 5614.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07285e+03 6.07604e+03 1.99041e+04 2.37177e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89519e+03 1.16621e+05 5.96384e+05 -4.13322e+06 9.82528e+03 Potential Pressure (bar) -3.37829e+06 -4.64160e+03 Step Time 5615 5615.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05938e+03 6.07223e+03 1.99041e+04 2.37199e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89587e+03 1.16620e+05 5.96387e+05 -4.13322e+06 9.82525e+03 Potential Pressure (bar) -3.37831e+06 -4.64083e+03 Step Time 5616 5616.00000 Step Time 5617 5617.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06125e+03 6.07354e+03 1.99041e+04 2.37182e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89543e+03 1.16621e+05 5.96392e+05 -4.13324e+06 9.82518e+03 Potential Pressure (bar) -3.37832e+06 -4.64115e+03 Step Time 5618 5618.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06129e+03 6.07232e+03 1.99041e+04 2.37204e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89593e+03 1.16620e+05 5.96397e+05 -4.13324e+06 9.82518e+03 Potential Pressure (bar) -3.37832e+06 -4.64062e+03 Step Time 5619 5619.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06448e+03 6.07431e+03 1.99041e+04 2.37177e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89531e+03 1.16621e+05 5.96402e+05 -4.13326e+06 9.82515e+03 Potential Pressure (bar) -3.37833e+06 -4.64113e+03 Step Time 5620 5620.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06541e+03 6.07263e+03 1.99041e+04 2.37203e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89603e+03 1.16620e+05 5.96407e+05 -4.13326e+06 9.82516e+03 Potential Pressure (bar) -3.37833e+06 -4.64043e+03 Step Time 5621 5621.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07098e+03 6.07573e+03 1.99041e+04 2.37167e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89515e+03 1.16621e+05 5.96411e+05 -4.13328e+06 9.82506e+03 Potential Pressure (bar) -3.37833e+06 -4.64117e+03 Step Time 5622 5622.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07417e+03 6.07349e+03 1.99041e+04 2.37209e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89619e+03 1.16619e+05 5.96418e+05 -4.13329e+06 9.82507e+03 Potential Pressure (bar) -3.37834e+06 -4.64020e+03 Step Time 5623 5623.00000 Step Time 5624 5624.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05823e+03 6.07271e+03 1.99041e+04 2.37180e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89554e+03 1.16620e+05 5.96420e+05 -4.13330e+06 9.82498e+03 Potential Pressure (bar) -3.37836e+06 -4.64060e+03 Step Time 5625 5625.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08252e+03 6.07442e+03 1.99042e+04 2.37215e+02 -1.09370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89623e+03 1.16619e+05 5.96452e+05 -4.13337e+06 9.82479e+03 Potential Pressure (bar) -3.37837e+06 -4.63966e+03 Step Time 5626 5626.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06081e+03 6.07345e+03 1.99042e+04 2.37174e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89529e+03 1.16620e+05 5.96454e+05 -4.13338e+06 9.82474e+03 Potential Pressure (bar) -3.37841e+06 -4.64031e+03 Step Time 5627 5627.00000 Step Time 5628 5628.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06326e+03 6.07251e+03 1.99042e+04 2.37188e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89582e+03 1.16619e+05 5.96460e+05 -4.13339e+06 9.82474e+03 Potential Pressure (bar) -3.37841e+06 -4.63973e+03 Step Time 5629 5629.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06404e+03 6.07426e+03 1.99042e+04 2.37164e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89516e+03 1.16621e+05 5.96464e+05 -4.13340e+06 9.82469e+03 Potential Pressure (bar) -3.37841e+06 -4.64027e+03 Step Time 5630 5630.00000 Step Time 5631 5631.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05818e+03 6.07239e+03 1.99042e+04 2.37175e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89554e+03 1.16620e+05 5.96466e+05 -4.13341e+06 9.82469e+03 Potential Pressure (bar) -3.37842e+06 -4.63986e+03 Step Time 5632 5632.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06715e+03 6.07490e+03 1.99042e+04 2.37153e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89504e+03 1.16621e+05 5.96480e+05 -4.13344e+06 9.82465e+03 Potential Pressure (bar) -3.37843e+06 -4.64018e+03 Step Time 5633 5633.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05921e+03 6.07235e+03 1.99043e+04 2.37174e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89559e+03 1.16620e+05 5.96484e+05 -4.13345e+06 9.82458e+03 Potential Pressure (bar) -3.37845e+06 -4.63954e+03 Step Time 5634 5634.00000 Step Time 5635 5635.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05998e+03 6.07325e+03 1.99043e+04 2.37161e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89524e+03 1.16620e+05 5.96488e+05 -4.13346e+06 9.82455e+03 Potential Pressure (bar) -3.37845e+06 -4.63979e+03 Step Time 5636 5636.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06053e+03 6.07240e+03 1.99043e+04 2.37176e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89562e+03 1.16619e+05 5.96494e+05 -4.13347e+06 9.82454e+03 Potential Pressure (bar) -3.37846e+06 -4.63936e+03 Step Time 5637 5637.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06196e+03 6.07376e+03 1.99043e+04 2.37153e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89514e+03 1.16620e+05 5.96498e+05 -4.13349e+06 9.82446e+03 Potential Pressure (bar) -3.37846e+06 -4.63976e+03 Step Time 5638 5638.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06331e+03 6.07259e+03 1.99043e+04 2.37178e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89570e+03 1.16619e+05 5.96504e+05 -4.13349e+06 9.82441e+03 Potential Pressure (bar) -3.37847e+06 -4.63916e+03 Step Time 5639 5639.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06601e+03 6.07469e+03 1.99043e+04 2.37148e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89500e+03 1.16620e+05 5.96508e+05 -4.13351e+06 9.82440e+03 Potential Pressure (bar) -3.37847e+06 -4.63973e+03 Step Time 5640 5640.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06910e+03 6.07313e+03 1.99043e+04 2.37182e+02 -1.09370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89583e+03 1.16619e+05 5.96514e+05 -4.13352e+06 9.82439e+03 Potential Pressure (bar) -3.37847e+06 -4.63894e+03 Step Time 5641 5641.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07430e+03 6.07646e+03 1.99043e+04 2.37139e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89481e+03 1.16621e+05 5.96518e+05 -4.13353e+06 9.82434e+03 Potential Pressure (bar) -3.37847e+06 -4.63982e+03 Step Time 5642 5642.00000 Step Time 5643 5643.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05827e+03 6.07250e+03 1.99043e+04 2.37158e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89539e+03 1.16620e+05 5.96521e+05 -4.13353e+06 9.82430e+03 Potential Pressure (bar) -3.37850e+06 -4.63913e+03 Step Time 5644 5644.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08227e+03 6.07787e+03 1.99043e+04 2.37138e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89463e+03 1.16621e+05 5.96542e+05 -4.13359e+06 9.82419e+03 Potential Pressure (bar) -3.37850e+06 -4.63965e+03 Step Time 5645 5645.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06020e+03 6.07245e+03 1.99044e+04 2.37167e+02 -1.09370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89547e+03 1.16619e+05 5.96545e+05 -4.13359e+06 9.82417e+03 Potential Pressure (bar) -3.37852e+06 -4.63869e+03 Step Time 5646 5646.00000 Step Time 5647 5647.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06384e+03 6.07422e+03 1.99044e+04 2.37140e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89495e+03 1.16620e+05 5.96550e+05 -4.13361e+06 9.82407e+03 Potential Pressure (bar) -3.37853e+06 -4.63912e+03 Step Time 5648 5648.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06300e+03 6.07264e+03 1.99044e+04 2.37165e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89555e+03 1.16619e+05 5.96555e+05 -4.13361e+06 9.82412e+03 Potential Pressure (bar) -3.37854e+06 -4.63850e+03 Step Time 5649 5649.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06899e+03 6.07535e+03 1.99044e+04 2.37131e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89480e+03 1.16620e+05 5.96559e+05 -4.13363e+06 9.82404e+03 Potential Pressure (bar) -3.37854e+06 -4.63912e+03 Step Time 5650 5650.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06914e+03 6.07322e+03 1.99044e+04 2.37170e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89568e+03 1.16619e+05 5.96565e+05 -4.13364e+06 9.82401e+03 Potential Pressure (bar) -3.37854e+06 -4.63827e+03 Step Time 5651 5651.00000 Step Time 5652 5652.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05863e+03 6.07293e+03 1.99044e+04 2.37144e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89513e+03 1.16620e+05 5.96567e+05 -4.13365e+06 9.82397e+03 Potential Pressure (bar) -3.37856e+06 -4.63864e+03 Step Time 5653 5653.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07512e+03 6.07381e+03 1.99045e+04 2.37166e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89573e+03 1.16618e+05 5.96590e+05 -4.13369e+06 9.82383e+03 Potential Pressure (bar) -3.37857e+06 -4.63787e+03 Step Time 5654 5654.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06084e+03 6.07357e+03 1.99044e+04 2.37131e+02 -1.09370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89493e+03 1.16620e+05 5.96592e+05 -4.13370e+06 9.82375e+03 Potential Pressure (bar) -3.37859e+06 -4.63843e+03 Step Time 5655 5655.00000 Step Time 5656 5656.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06156e+03 6.07258e+03 1.99045e+04 2.37147e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89538e+03 1.16619e+05 5.96598e+05 -4.13371e+06 9.82376e+03 Potential Pressure (bar) -3.37859e+06 -4.63795e+03 Step Time 5657 5657.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06348e+03 6.07423e+03 1.99045e+04 2.37125e+02 -1.09370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89481e+03 1.16620e+05 5.96602e+05 -4.13373e+06 9.82375e+03 Potential Pressure (bar) -3.37860e+06 -4.63842e+03 Step Time 5658 5658.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06528e+03 6.07287e+03 1.99045e+04 2.37151e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89547e+03 1.16619e+05 5.96608e+05 -4.13374e+06 9.82371e+03 Potential Pressure (bar) -3.37860e+06 -4.63774e+03 Step Time 5659 5659.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06887e+03 6.07544e+03 1.99045e+04 2.37119e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89466e+03 1.16620e+05 5.96612e+05 -4.13375e+06 9.82369e+03 Potential Pressure (bar) -3.37861e+06 -4.63842e+03 Step Time 5660 5660.00000 Step Time 5661 5661.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05837e+03 6.07263e+03 1.99045e+04 2.37138e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89513e+03 1.16619e+05 5.96615e+05 -4.13375e+06 9.82366e+03 Potential Pressure (bar) -3.37862e+06 -4.63788e+03 Step Time 5662 5662.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07407e+03 6.07641e+03 1.99045e+04 2.37110e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89448e+03 1.16620e+05 5.96635e+05 -4.13381e+06 9.82352e+03 Potential Pressure (bar) -3.37864e+06 -4.63827e+03 Step Time 5663 5663.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05963e+03 6.07253e+03 1.99045e+04 2.37134e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89517e+03 1.16619e+05 5.96639e+05 -4.13381e+06 9.82345e+03 Potential Pressure (bar) -3.37865e+06 -4.63749e+03 Step Time 5664 5664.00000 Step Time 5665 5665.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06206e+03 6.07393e+03 1.99045e+04 2.37116e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89475e+03 1.16620e+05 5.96644e+05 -4.13382e+06 9.82340e+03 Potential Pressure (bar) -3.37866e+06 -4.63782e+03 Step Time 5666 5666.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06141e+03 6.07263e+03 1.99045e+04 2.37137e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89523e+03 1.16619e+05 5.96649e+05 -4.13383e+06 9.82343e+03 Potential Pressure (bar) -3.37867e+06 -4.63729e+03 Step Time 5667 5667.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06543e+03 6.07471e+03 1.99045e+04 2.37112e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89462e+03 1.16620e+05 5.96654e+05 -4.13385e+06 9.82336e+03 Potential Pressure (bar) -3.37867e+06 -4.63780e+03 Step Time 5668 5668.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06534e+03 6.07291e+03 1.99046e+04 2.37141e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89533e+03 1.16618e+05 5.96659e+05 -4.13386e+06 9.82343e+03 Potential Pressure (bar) -3.37867e+06 -4.63708e+03 Step Time 5669 5669.00000 Step Time 5670 5670.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05869e+03 6.07297e+03 1.99046e+04 2.37121e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89488e+03 1.16619e+05 5.96661e+05 -4.13386e+06 9.82333e+03 Potential Pressure (bar) -3.37868e+06 -4.63740e+03 Step Time 5671 5671.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06916e+03 6.07333e+03 1.99046e+04 2.37135e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89536e+03 1.16618e+05 5.96685e+05 -4.13391e+06 9.82327e+03 Potential Pressure (bar) -3.37870e+06 -4.63668e+03 Step Time 5672 5672.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06014e+03 6.07347e+03 1.99046e+04 2.37106e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89471e+03 1.16619e+05 5.96688e+05 -4.13392e+06 9.82316e+03 Potential Pressure (bar) -3.37871e+06 -4.63716e+03 Step Time 5673 5673.00000 Step Time 5674 5674.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06052e+03 6.07266e+03 1.99046e+04 2.37120e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89507e+03 1.16619e+05 5.96693e+05 -4.13393e+06 9.82314e+03 Potential Pressure (bar) -3.37872e+06 -4.63674e+03 Step Time 5675 5675.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06188e+03 6.07391e+03 1.99046e+04 2.37104e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89461e+03 1.16619e+05 5.96697e+05 -4.13394e+06 9.82312e+03 Potential Pressure (bar) -3.37873e+06 -4.63709e+03 Step Time 5676 5676.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06288e+03 6.07282e+03 1.99046e+04 2.37125e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89514e+03 1.16618e+05 5.96703e+05 -4.13396e+06 9.82308e+03 Potential Pressure (bar) -3.37873e+06 -4.63654e+03 Step Time 5677 5677.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06541e+03 6.07473e+03 1.99046e+04 2.37097e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89448e+03 1.16620e+05 5.96707e+05 -4.13397e+06 9.82305e+03 Potential Pressure (bar) -3.37874e+06 -4.63708e+03 Step Time 5678 5678.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06783e+03 6.07326e+03 1.99047e+04 2.37126e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89524e+03 1.16618e+05 5.96713e+05 -4.13398e+06 9.82312e+03 Potential Pressure (bar) -3.37874e+06 -4.63634e+03 Step Time 5679 5679.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07259e+03 6.07627e+03 1.99047e+04 2.37086e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89431e+03 1.16620e+05 5.96717e+05 -4.13399e+06 9.82304e+03 Potential Pressure (bar) -3.37874e+06 -4.63714e+03 Step Time 5680 5680.00000 Step Time 5681 5681.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05861e+03 6.07275e+03 1.99047e+04 2.37106e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89484e+03 1.16619e+05 5.96719e+05 -4.13399e+06 9.82302e+03 Potential Pressure (bar) -3.37876e+06 -4.63649e+03 Step Time 5682 5682.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07948e+03 6.07756e+03 1.99047e+04 2.37078e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89414e+03 1.16620e+05 5.96741e+05 -4.13405e+06 9.82284e+03 Potential Pressure (bar) -3.37877e+06 -4.63698e+03 Step Time 5683 5683.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06025e+03 6.07271e+03 1.99047e+04 2.37109e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89492e+03 1.16618e+05 5.96744e+05 -4.13405e+06 9.82287e+03 Potential Pressure (bar) -3.37879e+06 -4.63608e+03 Step Time 5684 5684.00000 Step Time 5685 5685.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06351e+03 6.07434e+03 1.99047e+04 2.37089e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89442e+03 1.16619e+05 5.96750e+05 -4.13407e+06 9.82281e+03 Potential Pressure (bar) -3.37880e+06 -4.63648e+03 Step Time 5686 5686.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06265e+03 6.07285e+03 1.99047e+04 2.37111e+02 -1.09378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89498e+03 1.16618e+05 5.96754e+05 -4.13408e+06 9.82281e+03 Potential Pressure (bar) -3.37880e+06 -4.63588e+03 Step Time 5687 5687.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06798e+03 6.07534e+03 1.99047e+04 2.37082e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89428e+03 1.16620e+05 5.96759e+05 -4.13409e+06 9.82273e+03 Potential Pressure (bar) -3.37880e+06 -4.63648e+03 Step Time 5688 5688.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06790e+03 6.07330e+03 1.99047e+04 2.37112e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89510e+03 1.16618e+05 5.96764e+05 -4.13410e+06 9.82277e+03 Potential Pressure (bar) -3.37881e+06 -4.63570e+03 Step Time 5689 5689.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07688e+03 6.07721e+03 1.99047e+04 2.37071e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89409e+03 1.16620e+05 5.96768e+05 -4.13412e+06 9.82270e+03 Potential Pressure (bar) -3.37881e+06 -4.63656e+03 Step Time 5690 5690.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07921e+03 6.07447e+03 1.99048e+04 2.37120e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89529e+03 1.16618e+05 5.96773e+05 -4.13412e+06 9.82276e+03 Potential Pressure (bar) -3.37881e+06 -4.63544e+03 Step Time 5691 5691.00000 Step Time 5692 5692.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05919e+03 6.07327e+03 1.99047e+04 2.37086e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89454e+03 1.16619e+05 5.96775e+05 -4.13413e+06 9.82271e+03 Potential Pressure (bar) -3.37884e+06 -4.63592e+03 Step Time 5693 5693.00000 Step Time 5694 5694.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06447e+03 6.07305e+03 1.99048e+04 2.37102e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89495e+03 1.16618e+05 5.96788e+05 -4.13416e+06 9.82256e+03 Potential Pressure (bar) -3.37885e+06 -4.63543e+03 Step Time 5695 5695.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06061e+03 6.07368e+03 1.99048e+04 2.37080e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89442e+03 1.16619e+05 5.96791e+05 -4.13417e+06 9.82255e+03 Potential Pressure (bar) -3.37886e+06 -4.63582e+03 Step Time 5696 5696.00000 Step Time 5697 5697.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05942e+03 6.07278e+03 1.99048e+04 2.37090e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89471e+03 1.16618e+05 5.96795e+05 -4.13417e+06 9.82249e+03 Potential Pressure (bar) -3.37886e+06 -4.63548e+03 Step Time 5698 5698.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06211e+03 6.07406e+03 1.99048e+04 2.37072e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89433e+03 1.16619e+05 5.96801e+05 -4.13419e+06 9.82252e+03 Potential Pressure (bar) -3.37887e+06 -4.63573e+03 Step Time 5699 5699.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06070e+03 6.07281e+03 1.99048e+04 2.37090e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89477e+03 1.16618e+05 5.96805e+05 -4.13420e+06 9.82247e+03 Potential Pressure (bar) -3.37888e+06 -4.63526e+03 Step Time 5700 5700.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06497e+03 6.07474e+03 1.99048e+04 2.37066e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89423e+03 1.16619e+05 5.96810e+05 -4.13421e+06 9.82246e+03 Potential Pressure (bar) -3.37888e+06 -4.63572e+03 Step Time 5701 5701.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06360e+03 6.07300e+03 1.99048e+04 2.37091e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89485e+03 1.16618e+05 5.96815e+05 -4.13422e+06 9.82245e+03 Potential Pressure (bar) -3.37888e+06 -4.63505e+03 Step Time 5702 5702.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07054e+03 6.07597e+03 1.99048e+04 2.37061e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89407e+03 1.16619e+05 5.96820e+05 -4.13424e+06 9.82248e+03 Potential Pressure (bar) -3.37889e+06 -4.63572e+03 Step Time 5703 5703.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07004e+03 6.07359e+03 1.99049e+04 2.37097e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89499e+03 1.16618e+05 5.96825e+05 -4.13424e+06 9.82240e+03 Potential Pressure (bar) -3.37889e+06 -4.63482e+03 Step Time 5704 5704.00000 Step Time 5705 5705.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05923e+03 6.07331e+03 1.99048e+04 2.37072e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89442e+03 1.16619e+05 5.96828e+05 -4.13425e+06 9.82236e+03 Potential Pressure (bar) -3.37891e+06 -4.63525e+03 Step Time 5706 5706.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07628e+03 6.07427e+03 1.99049e+04 2.37097e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89503e+03 1.16617e+05 5.96848e+05 -4.13429e+06 9.82225e+03 Potential Pressure (bar) -3.37891e+06 -4.63448e+03 Step Time 5707 5707.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06168e+03 6.07400e+03 1.99049e+04 2.37063e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89421e+03 1.16619e+05 5.96850e+05 -4.13430e+06 9.82221e+03 Potential Pressure (bar) -3.37893e+06 -4.63510e+03 Step Time 5708 5708.00000 Step Time 5709 5709.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06208e+03 6.07295e+03 1.99049e+04 2.37080e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89469e+03 1.16618e+05 5.96856e+05 -4.13431e+06 9.82224e+03 Potential Pressure (bar) -3.37894e+06 -4.63459e+03 Step Time 5710 5710.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06456e+03 6.07470e+03 1.99049e+04 2.37056e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89409e+03 1.16619e+05 5.96860e+05 -4.13433e+06 9.82220e+03 Potential Pressure (bar) -3.37895e+06 -4.63505e+03 Step Time 5711 5711.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06593e+03 6.07327e+03 1.99049e+04 2.37082e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89478e+03 1.16618e+05 5.96865e+05 -4.13434e+06 9.82218e+03 Potential Pressure (bar) -3.37895e+06 -4.63434e+03 Step Time 5712 5712.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07041e+03 6.07598e+03 1.99049e+04 2.37048e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89394e+03 1.16619e+05 5.96870e+05 -4.13435e+06 9.82215e+03 Potential Pressure (bar) -3.37895e+06 -4.63507e+03 Step Time 5713 5713.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07407e+03 6.07407e+03 1.99049e+04 2.37084e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89493e+03 1.16617e+05 5.96876e+05 -4.13436e+06 9.82216e+03 Potential Pressure (bar) -3.37895e+06 -4.63414e+03 Step Time 5714 5714.00000 Step Time 5715 5715.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05905e+03 6.07325e+03 1.99049e+04 2.37059e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89431e+03 1.16618e+05 5.96877e+05 -4.13437e+06 9.82214e+03 Potential Pressure (bar) -3.37898e+06 -4.63455e+03 Step Time 5716 5716.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08164e+03 6.07508e+03 1.99050e+04 2.37087e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89493e+03 1.16617e+05 5.96915e+05 -4.13446e+06 9.82191e+03 Potential Pressure (bar) -3.37901e+06 -4.63358e+03 Step Time 5717 5717.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06129e+03 6.07396e+03 1.99050e+04 2.37045e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89405e+03 1.16619e+05 5.96917e+05 -4.13447e+06 9.82184e+03 Potential Pressure (bar) -3.37904e+06 -4.63423e+03 Step Time 5718 5718.00000 Step Time 5719 5719.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06395e+03 6.07310e+03 1.99050e+04 2.37060e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89455e+03 1.16618e+05 5.96923e+05 -4.13448e+06 9.82183e+03 Potential Pressure (bar) -3.37904e+06 -4.63366e+03 Step Time 5720 5720.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06418e+03 6.07467e+03 1.99050e+04 2.37034e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89393e+03 1.16619e+05 5.96927e+05 -4.13450e+06 9.82181e+03 Potential Pressure (bar) -3.37905e+06 -4.63421e+03 Step Time 5721 5721.00000 Step Time 5722 5722.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05908e+03 6.07300e+03 1.99050e+04 2.37047e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89429e+03 1.16618e+05 5.96930e+05 -4.13450e+06 9.82182e+03 Potential Pressure (bar) -3.37905e+06 -4.63377e+03 Step Time 5723 5723.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06699e+03 6.07531e+03 1.99050e+04 2.37029e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89381e+03 1.16619e+05 5.96942e+05 -4.13453e+06 9.82171e+03 Potential Pressure (bar) -3.37906e+06 -4.63410e+03 Step Time 5724 5724.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06010e+03 6.07294e+03 1.99050e+04 2.37046e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89434e+03 1.16618e+05 5.96945e+05 -4.13454e+06 9.82172e+03 Potential Pressure (bar) -3.37908e+06 -4.63349e+03 Step Time 5725 5725.00000 Step Time 5726 5726.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06056e+03 6.07378e+03 1.99050e+04 2.37036e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89401e+03 1.16618e+05 5.96949e+05 -4.13455e+06 9.82168e+03 Potential Pressure (bar) -3.37908e+06 -4.63376e+03 Step Time 5727 5727.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06136e+03 6.07299e+03 1.99051e+04 2.37045e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89438e+03 1.16618e+05 5.96955e+05 -4.13456e+06 9.82173e+03 Potential Pressure (bar) -3.37909e+06 -4.63332e+03 Step Time 5728 5728.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06231e+03 6.07427e+03 1.99051e+04 2.37028e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89391e+03 1.16619e+05 5.96959e+05 -4.13457e+06 9.82166e+03 Potential Pressure (bar) -3.37909e+06 -4.63371e+03 Step Time 5729 5729.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06396e+03 6.07317e+03 1.99051e+04 2.37045e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89445e+03 1.16618e+05 5.96965e+05 -4.13458e+06 9.82163e+03 Potential Pressure (bar) -3.37910e+06 -4.63313e+03 Step Time 5730 5730.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06593e+03 6.07513e+03 1.99051e+04 2.37021e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89377e+03 1.16619e+05 5.96969e+05 -4.13460e+06 9.82164e+03 Potential Pressure (bar) -3.37910e+06 -4.63369e+03 Step Time 5731 5731.00000 Step Time 5732 5732.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05905e+03 6.07310e+03 1.99051e+04 2.37035e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89416e+03 1.16618e+05 5.96972e+05 -4.13460e+06 9.82162e+03 Potential Pressure (bar) -3.37911e+06 -4.63325e+03 Step Time 5733 5733.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06944e+03 6.07583e+03 1.99051e+04 2.37009e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89364e+03 1.16619e+05 5.96988e+05 -4.13464e+06 9.82154e+03 Potential Pressure (bar) -3.37912e+06 -4.63356e+03 Step Time 5734 5734.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06001e+03 6.07301e+03 1.99051e+04 2.37031e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89420e+03 1.16618e+05 5.96991e+05 -4.13464e+06 9.82153e+03 Potential Pressure (bar) -3.37914e+06 -4.63293e+03 Step Time 5735 5735.00000 Step Time 5736 5736.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06139e+03 6.07406e+03 1.99051e+04 2.37017e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89384e+03 1.16618e+05 5.96996e+05 -4.13466e+06 9.82147e+03 Potential Pressure (bar) -3.37914e+06 -4.63319e+03 Step Time 5737 5737.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06129e+03 6.07307e+03 1.99051e+04 2.37031e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89425e+03 1.16618e+05 5.97001e+05 -4.13467e+06 9.82149e+03 Potential Pressure (bar) -3.37915e+06 -4.63274e+03 Step Time 5738 5738.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06364e+03 6.07463e+03 1.99051e+04 2.37010e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89373e+03 1.16618e+05 5.97005e+05 -4.13468e+06 9.82148e+03 Potential Pressure (bar) -3.37916e+06 -4.63317e+03 Step Time 5739 5739.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06404e+03 6.07325e+03 1.99052e+04 2.37033e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89433e+03 1.16617e+05 5.97010e+05 -4.13469e+06 9.82150e+03 Potential Pressure (bar) -3.37916e+06 -4.63255e+03 Step Time 5740 5740.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06815e+03 6.07564e+03 1.99052e+04 2.37002e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89359e+03 1.16619e+05 5.97015e+05 -4.13471e+06 9.82142e+03 Potential Pressure (bar) -3.37917e+06 -4.63318e+03 Step Time 5741 5741.00000 Step Time 5742 5742.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05909e+03 6.07320e+03 1.99052e+04 2.37018e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89401e+03 1.16618e+05 5.97018e+05 -4.13471e+06 9.82136e+03 Potential Pressure (bar) -3.37918e+06 -4.63268e+03 Step Time 5743 5743.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07237e+03 6.07645e+03 1.99052e+04 2.36987e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89346e+03 1.16619e+05 5.97043e+05 -4.13477e+06 9.82131e+03 Potential Pressure (bar) -3.37920e+06 -4.63290e+03 Step Time 5744 5744.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05990e+03 6.07310e+03 1.99052e+04 2.37014e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89404e+03 1.16618e+05 5.97046e+05 -4.13478e+06 9.82127e+03 Potential Pressure (bar) -3.37922e+06 -4.63220e+03 Step Time 5745 5745.00000 Step Time 5746 5746.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06251e+03 6.07439e+03 1.99052e+04 2.36997e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89364e+03 1.16618e+05 5.97052e+05 -4.13479e+06 9.82120e+03 Potential Pressure (bar) -3.37922e+06 -4.63251e+03 Step Time 5747 5747.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06120e+03 6.07313e+03 1.99052e+04 2.37015e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89409e+03 1.16617e+05 5.97056e+05 -4.13480e+06 9.82127e+03 Potential Pressure (bar) -3.37923e+06 -4.63203e+03 Step Time 5748 5748.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06531e+03 6.07506e+03 1.99052e+04 2.36990e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89354e+03 1.16618e+05 5.97061e+05 -4.13482e+06 9.82120e+03 Potential Pressure (bar) -3.37923e+06 -4.63248e+03 Step Time 5749 5749.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06414e+03 6.07333e+03 1.99053e+04 2.37018e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89417e+03 1.16617e+05 5.97066e+05 -4.13482e+06 9.82124e+03 Potential Pressure (bar) -3.37924e+06 -4.63183e+03 Step Time 5750 5750.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07083e+03 6.07628e+03 1.99052e+04 2.36985e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89339e+03 1.16618e+05 5.97070e+05 -4.13484e+06 9.82122e+03 Potential Pressure (bar) -3.37924e+06 -4.63249e+03 Step Time 5751 5751.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07058e+03 6.07392e+03 1.99053e+04 2.37022e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89431e+03 1.16617e+05 5.97075e+05 -4.13484e+06 9.82123e+03 Potential Pressure (bar) -3.37924e+06 -4.63161e+03 Step Time 5752 5752.00000 Step Time 5753 5753.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05967e+03 6.07365e+03 1.99053e+04 2.36997e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89374e+03 1.16618e+05 5.97077e+05 -4.13485e+06 9.82117e+03 Potential Pressure (bar) -3.37926e+06 -4.63200e+03 Step Time 5754 5754.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07682e+03 6.07460e+03 1.99053e+04 2.37022e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89435e+03 1.16617e+05 5.97099e+05 -4.13490e+06 9.82118e+03 Potential Pressure (bar) -3.37927e+06 -4.63125e+03 Step Time 5755 5755.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06206e+03 6.07436e+03 1.99053e+04 2.36979e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89354e+03 1.16618e+05 5.97101e+05 -4.13491e+06 9.82110e+03 Potential Pressure (bar) -3.37929e+06 -4.63186e+03 Step Time 5756 5756.00000 Step Time 5757 5757.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06263e+03 6.07329e+03 1.99053e+04 2.36998e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89400e+03 1.16617e+05 5.97107e+05 -4.13492e+06 9.82112e+03 Potential Pressure (bar) -3.37930e+06 -4.63136e+03 Step Time 5758 5758.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06490e+03 6.07505e+03 1.99053e+04 2.36974e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89342e+03 1.16618e+05 5.97111e+05 -4.13493e+06 9.82110e+03 Potential Pressure (bar) -3.37930e+06 -4.63184e+03 Step Time 5759 5759.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06649e+03 6.07362e+03 1.99053e+04 2.37001e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89410e+03 1.16617e+05 5.97117e+05 -4.13494e+06 9.82105e+03 Potential Pressure (bar) -3.37931e+06 -4.63114e+03 Step Time 5760 5760.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07070e+03 6.07632e+03 1.99053e+04 2.36966e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89326e+03 1.16618e+05 5.97121e+05 -4.13496e+06 9.82102e+03 Potential Pressure (bar) -3.37931e+06 -4.63187e+03 Step Time 5761 5761.00000 Step Time 5762 5762.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05934e+03 6.07333e+03 1.99053e+04 2.36986e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89374e+03 1.16617e+05 5.97124e+05 -4.13496e+06 9.82103e+03 Potential Pressure (bar) -3.37932e+06 -4.63131e+03 Step Time 5763 5763.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07619e+03 6.07738e+03 1.99054e+04 2.36952e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89311e+03 1.16618e+05 5.97145e+05 -4.13501e+06 9.82096e+03 Potential Pressure (bar) -3.37934e+06 -4.63171e+03 Step Time 5764 5764.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06057e+03 6.07326e+03 1.99054e+04 2.36981e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89380e+03 1.16617e+05 5.97148e+05 -4.13502e+06 9.82097e+03 Potential Pressure (bar) -3.37936e+06 -4.63091e+03 Step Time 5765 5765.00000 Step Time 5766 5766.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06340e+03 6.07472e+03 1.99054e+04 2.36964e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89335e+03 1.16618e+05 5.97153e+05 -4.13503e+06 9.82095e+03 Potential Pressure (bar) -3.37936e+06 -4.63122e+03 Step Time 5767 5767.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06244e+03 6.07333e+03 1.99054e+04 2.36982e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89385e+03 1.16617e+05 5.97158e+05 -4.13504e+06 9.82092e+03 Potential Pressure (bar) -3.37937e+06 -4.63071e+03 Step Time 5768 5768.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06699e+03 6.07557e+03 1.99054e+04 2.36956e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89322e+03 1.16618e+05 5.97162e+05 -4.13506e+06 9.82090e+03 Potential Pressure (bar) -3.37937e+06 -4.63126e+03 Step Time 5769 5769.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06655e+03 6.07365e+03 1.99054e+04 2.36984e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89395e+03 1.16617e+05 5.97167e+05 -4.13506e+06 9.82094e+03 Potential Pressure (bar) -3.37937e+06 -4.63050e+03 Step Time 5770 5770.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07411e+03 6.07712e+03 1.99054e+04 2.36944e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89306e+03 1.16618e+05 5.97172e+05 -4.13508e+06 9.82087e+03 Potential Pressure (bar) -3.37938e+06 -4.63128e+03 Step Time 5771 5771.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07543e+03 6.07452e+03 1.99055e+04 2.36991e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89411e+03 1.16616e+05 5.97177e+05 -4.13509e+06 9.82095e+03 Potential Pressure (bar) -3.37938e+06 -4.63026e+03 Step Time 5772 5772.00000 Step Time 5773 5773.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05987e+03 6.07381e+03 1.99054e+04 2.36961e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89345e+03 1.16617e+05 5.97179e+05 -4.13510e+06 9.82085e+03 Potential Pressure (bar) -3.37940e+06 -4.63073e+03 Step Time 5774 5774.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08384e+03 6.07560e+03 1.99055e+04 2.36990e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89419e+03 1.16616e+05 5.97203e+05 -4.13515e+06 9.82082e+03 Potential Pressure (bar) -3.37940e+06 -4.62989e+03 Step Time 5775 5775.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06285e+03 6.07463e+03 1.99055e+04 2.36946e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89323e+03 1.16618e+05 5.97205e+05 -4.13516e+06 9.82073e+03 Potential Pressure (bar) -3.37944e+06 -4.63056e+03 Step Time 5776 5776.00000 Step Time 5777 5777.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06439e+03 6.07357e+03 1.99055e+04 2.36972e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89376e+03 1.16617e+05 5.97210e+05 -4.13517e+06 9.82073e+03 Potential Pressure (bar) -3.37944e+06 -4.62999e+03 Step Time 5778 5778.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06647e+03 6.07551e+03 1.99055e+04 2.36942e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89309e+03 1.16618e+05 5.97215e+05 -4.13518e+06 9.82075e+03 Potential Pressure (bar) -3.37945e+06 -4.63054e+03 Step Time 5779 5779.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06974e+03 6.07406e+03 1.99055e+04 2.36970e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89388e+03 1.16616e+05 5.97220e+05 -4.13519e+06 9.82077e+03 Potential Pressure (bar) -3.37945e+06 -4.62976e+03 Step Time 5780 5780.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07395e+03 6.07712e+03 1.99055e+04 2.36931e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89291e+03 1.16618e+05 5.97224e+05 -4.13521e+06 9.82072e+03 Potential Pressure (bar) -3.37945e+06 -4.63062e+03 Step Time 5781 5781.00000 Step Time 5782 5782.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05963e+03 6.07346e+03 1.99055e+04 2.36953e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89347e+03 1.16617e+05 5.97227e+05 -4.13521e+06 9.82067e+03 Potential Pressure (bar) -3.37947e+06 -4.62999e+03 Step Time 5783 5783.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08102e+03 6.07851e+03 1.99055e+04 2.36918e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89275e+03 1.16618e+05 5.97246e+05 -4.13526e+06 9.82064e+03 Potential Pressure (bar) -3.37947e+06 -4.63051e+03 Step Time 5784 5784.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06144e+03 6.07344e+03 1.99056e+04 2.36949e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89355e+03 1.16617e+05 5.97249e+05 -4.13526e+06 9.82065e+03 Potential Pressure (bar) -3.37950e+06 -4.62960e+03 Step Time 5785 5785.00000 Step Time 5786 5786.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06450e+03 6.07508e+03 1.99056e+04 2.36926e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89304e+03 1.16618e+05 5.97254e+05 -4.13527e+06 9.82061e+03 Potential Pressure (bar) -3.37950e+06 -4.63000e+03 Step Time 5787 5787.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06407e+03 6.07361e+03 1.99056e+04 2.36949e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89363e+03 1.16616e+05 5.97259e+05 -4.13528e+06 9.82063e+03 Potential Pressure (bar) -3.37951e+06 -4.62941e+03 Step Time 5788 5788.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06913e+03 6.07612e+03 1.99056e+04 2.36921e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89290e+03 1.16618e+05 5.97264e+05 -4.13530e+06 9.82062e+03 Potential Pressure (bar) -3.37951e+06 -4.62999e+03 Step Time 5789 5789.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06974e+03 6.07412e+03 1.99056e+04 2.36955e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89376e+03 1.16616e+05 5.97269e+05 -4.13531e+06 9.82069e+03 Potential Pressure (bar) -3.37951e+06 -4.62916e+03 Step Time 5790 5790.00000 Step Time 5791 5791.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05988e+03 6.07387e+03 1.99056e+04 2.36931e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89323e+03 1.16617e+05 5.97271e+05 -4.13531e+06 9.82061e+03 Potential Pressure (bar) -3.37953e+06 -4.62954e+03 Step Time 5792 5792.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07521e+03 6.07479e+03 1.99057e+04 2.36952e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89377e+03 1.16616e+05 5.97295e+05 -4.13537e+06 9.82058e+03 Potential Pressure (bar) -3.37955e+06 -4.62879e+03 Step Time 5793 5793.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06183e+03 6.07448e+03 1.99056e+04 2.36918e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89301e+03 1.16617e+05 5.97297e+05 -4.13538e+06 9.82049e+03 Potential Pressure (bar) -3.37957e+06 -4.62933e+03 Step Time 5794 5794.00000 Step Time 5795 5795.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06272e+03 6.07361e+03 1.99057e+04 2.36934e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89346e+03 1.16616e+05 5.97303e+05 -4.13539e+06 9.82056e+03 Potential Pressure (bar) -3.37957e+06 -4.62886e+03 Step Time 5796 5796.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06419e+03 6.07506e+03 1.99057e+04 2.36911e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89291e+03 1.16617e+05 5.97307e+05 -4.13540e+06 9.82052e+03 Potential Pressure (bar) -3.37958e+06 -4.62927e+03 Step Time 5797 5797.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06616e+03 6.07390e+03 1.99057e+04 2.36937e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89355e+03 1.16616e+05 5.97313e+05 -4.13541e+06 9.82049e+03 Potential Pressure (bar) -3.37958e+06 -4.62866e+03 Step Time 5798 5798.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06906e+03 6.07613e+03 1.99057e+04 2.36900e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89276e+03 1.16618e+05 5.97317e+05 -4.13543e+06 9.82055e+03 Potential Pressure (bar) -3.37959e+06 -4.62931e+03 Step Time 5799 5799.00000 Step Time 5800 5800.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05971e+03 6.07363e+03 1.99057e+04 2.36920e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89322e+03 1.16617e+05 5.97320e+05 -4.13543e+06 9.82046e+03 Potential Pressure (bar) -3.37960e+06 -4.62880e+03 Step Time 5801 5801.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07370e+03 6.07704e+03 1.99057e+04 2.36888e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89262e+03 1.16618e+05 5.97338e+05 -4.13548e+06 9.82050e+03 Potential Pressure (bar) -3.37961e+06 -4.62912e+03 Step Time 5802 5802.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06089e+03 6.07359e+03 1.99057e+04 2.36913e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89327e+03 1.16616e+05 5.97341e+05 -4.13548e+06 9.82048e+03 Potential Pressure (bar) -3.37962e+06 -4.62846e+03 Step Time 5803 5803.00000 Step Time 5804 5804.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06294e+03 6.07480e+03 1.99057e+04 2.36897e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89286e+03 1.16617e+05 5.97346e+05 -4.13550e+06 9.82045e+03 Potential Pressure (bar) -3.37963e+06 -4.62874e+03 Step Time 5805 5805.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06257e+03 6.07367e+03 1.99058e+04 2.36916e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89332e+03 1.16616e+05 5.97350e+05 -4.13550e+06 9.82050e+03 Potential Pressure (bar) -3.37964e+06 -4.62827e+03 Step Time 5806 5806.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06596e+03 6.07550e+03 1.99057e+04 2.36890e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89274e+03 1.16617e+05 5.97355e+05 -4.13552e+06 9.82044e+03 Potential Pressure (bar) -3.37964e+06 -4.62874e+03 Step Time 5807 5807.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06620e+03 6.07396e+03 1.99058e+04 2.36917e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89342e+03 1.16616e+05 5.97360e+05 -4.13552e+06 9.82048e+03 Potential Pressure (bar) -3.37965e+06 -4.62806e+03 Step Time 5808 5808.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07196e+03 6.07680e+03 1.99058e+04 2.36884e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89258e+03 1.16618e+05 5.97364e+05 -4.13554e+06 9.82047e+03 Potential Pressure (bar) -3.37965e+06 -4.62878e+03 Step Time 5809 5809.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07399e+03 6.07473e+03 1.99058e+04 2.36926e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89356e+03 1.16616e+05 5.97370e+05 -4.13555e+06 9.82049e+03 Potential Pressure (bar) -3.37965e+06 -4.62783e+03 Step Time 5810 5810.00000 Step Time 5811 5811.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06007e+03 6.07405e+03 1.99058e+04 2.36899e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89295e+03 1.16617e+05 5.97372e+05 -4.13556e+06 9.82040e+03 Potential Pressure (bar) -3.37967e+06 -4.62826e+03 Step Time 5812 5812.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08143e+03 6.07565e+03 1.99058e+04 2.36911e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89361e+03 1.16615e+05 5.97400e+05 -4.13562e+06 9.82038e+03 Potential Pressure (bar) -3.37969e+06 -4.62744e+03 Step Time 5813 5813.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06250e+03 6.07474e+03 1.99058e+04 2.36877e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89273e+03 1.16617e+05 5.97402e+05 -4.13563e+06 9.82035e+03 Potential Pressure (bar) -3.37971e+06 -4.62803e+03 Step Time 5814 5814.00000 Step Time 5815 5815.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06431e+03 6.07390e+03 1.99058e+04 2.36901e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89323e+03 1.16616e+05 5.97408e+05 -4.13564e+06 9.82038e+03 Potential Pressure (bar) -3.37972e+06 -4.62753e+03 Step Time 5816 5816.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06554e+03 6.07547e+03 1.99058e+04 2.36874e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89260e+03 1.16617e+05 5.97412e+05 -4.13566e+06 9.82036e+03 Potential Pressure (bar) -3.37973e+06 -4.62798e+03 Step Time 5817 5817.00000 Step Time 5818 5818.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.05990e+03 6.07377e+03 1.99058e+04 2.36886e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89296e+03 1.16616e+05 5.97415e+05 -4.13566e+06 9.82036e+03 Potential Pressure (bar) -3.37973e+06 -4.62761e+03 Step Time 5819 5819.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06840e+03 6.07612e+03 1.99059e+04 2.36864e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89248e+03 1.16617e+05 5.97428e+05 -4.13570e+06 9.82032e+03 Potential Pressure (bar) -3.37974e+06 -4.62788e+03 Step Time 5820 5820.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06076e+03 6.07374e+03 1.99059e+04 2.36881e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89300e+03 1.16616e+05 5.97432e+05 -4.13570e+06 9.82033e+03 Potential Pressure (bar) -3.37976e+06 -4.62732e+03 Step Time 5821 5821.00000 Step Time 5822 5822.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06172e+03 6.07460e+03 1.99059e+04 2.36867e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89268e+03 1.16617e+05 5.97436e+05 -4.13571e+06 9.82029e+03 Potential Pressure (bar) -3.37976e+06 -4.62754e+03 Step Time 5823 5823.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06192e+03 6.07378e+03 1.99059e+04 2.36882e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89304e+03 1.16616e+05 5.97442e+05 -4.13572e+06 9.82030e+03 Potential Pressure (bar) -3.37977e+06 -4.62713e+03 Step Time 5824 5824.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06359e+03 6.07508e+03 1.99059e+04 2.36863e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89257e+03 1.16617e+05 5.97446e+05 -4.13574e+06 9.82032e+03 Potential Pressure (bar) -3.37977e+06 -4.62751e+03 Step Time 5825 5825.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06435e+03 6.07397e+03 1.99059e+04 2.36880e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89311e+03 1.16616e+05 5.97451e+05 -4.13574e+06 9.82036e+03 Potential Pressure (bar) -3.37978e+06 -4.62694e+03 Step Time 5826 5826.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06736e+03 6.07595e+03 1.99059e+04 2.36854e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89244e+03 1.16617e+05 5.97454e+05 -4.13576e+06 9.82032e+03 Potential Pressure (bar) -3.37978e+06 -4.62748e+03 Step Time 5827 5827.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06948e+03 6.07443e+03 1.99059e+04 2.36887e+02 -1.09408e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89322e+03 1.16616e+05 5.97460e+05 -4.13577e+06 9.82036e+03 Potential Pressure (bar) -3.37979e+06 -4.62675e+03 Step Time 5828 5828.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07500e+03 6.07759e+03 1.99059e+04 2.36847e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89226e+03 1.16617e+05 5.97464e+05 -4.13578e+06 9.82029e+03 Potential Pressure (bar) -3.37979e+06 -4.62758e+03 Step Time 5829 5829.00000 Step Time 5830 5830.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06000e+03 6.07389e+03 1.99059e+04 2.36869e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89281e+03 1.16616e+05 5.97467e+05 -4.13579e+06 9.82030e+03 Potential Pressure (bar) -3.37981e+06 -4.62693e+03 Step Time 5831 5831.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08225e+03 6.07894e+03 1.99059e+04 2.36828e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89210e+03 1.16617e+05 5.97489e+05 -4.13584e+06 9.82026e+03 Potential Pressure (bar) -3.37982e+06 -4.62743e+03 Step Time 5832 5832.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06162e+03 6.07384e+03 1.99060e+04 2.36859e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89289e+03 1.16616e+05 5.97492e+05 -4.13585e+06 9.82025e+03 Potential Pressure (bar) -3.37984e+06 -4.62653e+03 Step Time 5833 5833.00000 Step Time 5834 5834.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06535e+03 6.07557e+03 1.99060e+04 2.36839e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89237e+03 1.16617e+05 5.97497e+05 -4.13586e+06 9.82031e+03 Potential Pressure (bar) -3.37985e+06 -4.62690e+03 Step Time 5835 5835.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06410e+03 6.07399e+03 1.99060e+04 2.36861e+02 -1.09408e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89297e+03 1.16616e+05 5.97501e+05 -4.13587e+06 9.82032e+03 Potential Pressure (bar) -3.37985e+06 -4.62631e+03 Step Time 5836 5836.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07011e+03 6.07663e+03 1.99060e+04 2.36832e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89223e+03 1.16617e+05 5.97506e+05 -4.13589e+06 9.82030e+03 Potential Pressure (bar) -3.37986e+06 -4.62691e+03 Step Time 5837 5837.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06957e+03 6.07446e+03 1.99060e+04 2.36863e+02 -1.09409e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89309e+03 1.16615e+05 5.97511e+05 -4.13589e+06 9.82032e+03 Potential Pressure (bar) -3.37986e+06 -4.62610e+03 Step Time 5838 5838.00000 Step Time 5839 5839.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06044e+03 6.07433e+03 1.99060e+04 2.36840e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89256e+03 1.16616e+05 5.97513e+05 -4.13590e+06 9.82029e+03 Potential Pressure (bar) -3.37988e+06 -4.62642e+03 Step Time 5840 5840.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07487e+03 6.07505e+03 1.99061e+04 2.36864e+02 -1.09410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89314e+03 1.16615e+05 5.97533e+05 -4.13595e+06 9.82037e+03 Potential Pressure (bar) -3.37989e+06 -4.62577e+03 Step Time 5841 5841.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06252e+03 6.07498e+03 1.99060e+04 2.36830e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89237e+03 1.16616e+05 5.97536e+05 -4.13596e+06 9.82028e+03 Potential Pressure (bar) -3.37991e+06 -4.62633e+03 Step Time 5842 5842.00000 Step Time 5843 5843.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06285e+03 6.07398e+03 1.99061e+04 2.36847e+02 -1.09410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89281e+03 1.16616e+05 5.97542e+05 -4.13597e+06 9.82031e+03 Potential Pressure (bar) -3.37991e+06 -4.62586e+03 Step Time 5844 5844.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06499e+03 6.07560e+03 1.99061e+04 2.36822e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89225e+03 1.16617e+05 5.97545e+05 -4.13598e+06 9.82026e+03 Potential Pressure (bar) -3.37992e+06 -4.62628e+03 Step Time 5845 5845.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06611e+03 6.07423e+03 1.99061e+04 2.36846e+02 -1.09410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89289e+03 1.16615e+05 5.97550e+05 -4.13599e+06 9.82032e+03 Potential Pressure (bar) -3.37992e+06 -4.62567e+03 Step Time 5846 5846.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06999e+03 6.07672e+03 1.99061e+04 2.36815e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89210e+03 1.16617e+05 5.97555e+05 -4.13601e+06 9.82027e+03 Potential Pressure (bar) -3.37993e+06 -4.62634e+03 Step Time 5847 5847.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07301e+03 6.07488e+03 1.99061e+04 2.36850e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89302e+03 1.16615e+05 5.97560e+05 -4.13601e+06 9.82034e+03 Potential Pressure (bar) -3.37993e+06 -4.62545e+03 Step Time 5848 5848.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08015e+03 6.07885e+03 1.99061e+04 2.36805e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89191e+03 1.16617e+05 5.97565e+05 -4.13603e+06 9.82033e+03 Potential Pressure (bar) -3.37993e+06 -4.62645e+03 Step Time 5849 5849.00000 Step Time 5850 5850.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06020e+03 6.07406e+03 1.99061e+04 2.36830e+02 -1.09409e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89255e+03 1.16616e+05 5.97567e+05 -4.13603e+06 9.82030e+03 Potential Pressure (bar) -3.37995e+06 -4.62569e+03 Step Time 5851 5851.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08996e+03 6.08056e+03 1.99061e+04 2.36788e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89170e+03 1.16617e+05 5.97590e+05 -4.13609e+06 9.82032e+03 Potential Pressure (bar) -3.37995e+06 -4.62629e+03 Step Time 5852 5852.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06241e+03 6.07403e+03 1.99062e+04 2.36822e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89264e+03 1.16616e+05 5.97593e+05 -4.13609e+06 9.82029e+03 Potential Pressure (bar) -3.37999e+06 -4.62525e+03 Step Time 5853 5853.00000 Step Time 5854 5854.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06730e+03 6.07613e+03 1.99061e+04 2.36796e+02 -1.09408e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89205e+03 1.16617e+05 5.97598e+05 -4.13611e+06 9.82030e+03 Potential Pressure (bar) -3.37999e+06 -4.62571e+03 Step Time 5855 5855.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06572e+03 6.07428e+03 1.99062e+04 2.36824e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89273e+03 1.16615e+05 5.97603e+05 -4.13612e+06 9.82033e+03 Potential Pressure (bar) -3.38000e+06 -4.62503e+03 Step Time 5856 5856.00000 Step Time 5857 5857.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06059e+03 6.07448e+03 1.99062e+04 2.36808e+02 -1.09410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89231e+03 1.16616e+05 5.97605e+05 -4.13612e+06 9.82032e+03 Potential Pressure (bar) -3.38001e+06 -4.62532e+03 Step Time 5858 5858.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06903e+03 6.07460e+03 1.99062e+04 2.36823e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89278e+03 1.16615e+05 5.97622e+05 -4.13616e+06 9.82032e+03 Potential Pressure (bar) -3.38001e+06 -4.62474e+03 Step Time 5859 5859.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06210e+03 6.07497e+03 1.99062e+04 2.36796e+02 -1.09410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89216e+03 1.16616e+05 5.97624e+05 -4.13617e+06 9.82032e+03 Potential Pressure (bar) -3.38003e+06 -4.62522e+03 Step Time 5860 5860.00000 Step Time 5861 5861.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06171e+03 6.07407e+03 1.99062e+04 2.36806e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89250e+03 1.16616e+05 5.97630e+05 -4.13618e+06 9.82032e+03 Potential Pressure (bar) -3.38003e+06 -4.62482e+03 Step Time 5862 5862.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06383e+03 6.07542e+03 1.99062e+04 2.36790e+02 -1.09410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89206e+03 1.16616e+05 5.97634e+05 -4.13619e+06 9.82029e+03 Potential Pressure (bar) -3.38004e+06 -4.62514e+03 Step Time 5863 5863.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06367e+03 6.07420e+03 1.99062e+04 2.36805e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89256e+03 1.16615e+05 5.97639e+05 -4.13620e+06 9.82035e+03 Potential Pressure (bar) -3.38004e+06 -4.62462e+03 Step Time 5864 5864.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06725e+03 6.07622e+03 1.99062e+04 2.36779e+02 -1.09409e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89193e+03 1.16616e+05 5.97643e+05 -4.13621e+06 9.82041e+03 Potential Pressure (bar) -3.38005e+06 -4.62512e+03 Step Time 5865 5865.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06788e+03 6.07456e+03 1.99062e+04 2.36809e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89267e+03 1.16615e+05 5.97649e+05 -4.13622e+06 9.82040e+03 Potential Pressure (bar) -3.38005e+06 -4.62441e+03 Step Time 5866 5866.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07406e+03 6.07770e+03 1.99062e+04 2.36773e+02 -1.09408e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89177e+03 1.16617e+05 5.97653e+05 -4.13624e+06 9.82039e+03 Potential Pressure (bar) -3.38005e+06 -4.62518e+03 Step Time 5867 5867.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07694e+03 6.07544e+03 1.99063e+04 2.36813e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89283e+03 1.16615e+05 5.97658e+05 -4.13624e+06 9.82046e+03 Potential Pressure (bar) -3.38005e+06 -4.62419e+03 Step Time 5868 5868.00000 Step Time 5869 5869.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06062e+03 6.07458e+03 1.99063e+04 2.36783e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89217e+03 1.16616e+05 5.97660e+05 -4.13625e+06 9.82041e+03 Potential Pressure (bar) -3.38008e+06 -4.62463e+03 Step Time 5870 5870.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08536e+03 6.07643e+03 1.99063e+04 2.36822e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89287e+03 1.16614e+05 5.97689e+05 -4.13632e+06 9.82046e+03 Potential Pressure (bar) -3.38009e+06 -4.62373e+03 Step Time 5871 5871.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06331e+03 6.07539e+03 1.99063e+04 2.36774e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89192e+03 1.16616e+05 5.97691e+05 -4.13633e+06 9.82035e+03 Potential Pressure (bar) -3.38012e+06 -4.62441e+03 Step Time 5872 5872.00000 Step Time 5873 5873.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06565e+03 6.07438e+03 1.99063e+04 2.36789e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89248e+03 1.16615e+05 5.97697e+05 -4.13634e+06 9.82041e+03 Potential Pressure (bar) -3.38013e+06 -4.62383e+03 Step Time 5874 5874.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06671e+03 6.07625e+03 1.99063e+04 2.36765e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89180e+03 1.16616e+05 5.97701e+05 -4.13635e+06 9.82040e+03 Potential Pressure (bar) -3.38013e+06 -4.62444e+03 Step Time 5875 5875.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07115e+03 6.07489e+03 1.99063e+04 2.36788e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89259e+03 1.16615e+05 5.97707e+05 -4.13636e+06 9.82046e+03 Potential Pressure (bar) -3.38013e+06 -4.62364e+03 Step Time 5876 5876.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07386e+03 6.07782e+03 1.99063e+04 2.36754e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89162e+03 1.16617e+05 5.97711e+05 -4.13638e+06 9.82046e+03 Potential Pressure (bar) -3.38014e+06 -4.62446e+03 Step Time 5877 5877.00000 Step Time 5878 5878.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06059e+03 6.07428e+03 1.99064e+04 2.36773e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89218e+03 1.16615e+05 5.97713e+05 -4.13638e+06 9.82039e+03 Potential Pressure (bar) -3.38016e+06 -4.62379e+03 Step Time 5879 5879.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08071e+03 6.07911e+03 1.99064e+04 2.36741e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89146e+03 1.16617e+05 5.97729e+05 -4.13642e+06 9.82036e+03 Potential Pressure (bar) -3.38016e+06 -4.62441e+03 Step Time 5880 5880.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06260e+03 6.07427e+03 1.99064e+04 2.36770e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89227e+03 1.16615e+05 5.97732e+05 -4.13642e+06 9.82041e+03 Potential Pressure (bar) -3.38018e+06 -4.62348e+03 Step Time 5881 5881.00000 Step Time 5882 5882.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06485e+03 6.07585e+03 1.99064e+04 2.36750e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89176e+03 1.16616e+05 5.97736e+05 -4.13644e+06 9.82040e+03 Potential Pressure (bar) -3.38018e+06 -4.62389e+03 Step Time 5883 5883.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06534e+03 6.07444e+03 1.99064e+04 2.36768e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89235e+03 1.16615e+05 5.97741e+05 -4.13644e+06 9.82044e+03 Potential Pressure (bar) -3.38019e+06 -4.62327e+03 Step Time 5884 5884.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06922e+03 6.07686e+03 1.99064e+04 2.36741e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89163e+03 1.16616e+05 5.97746e+05 -4.13646e+06 9.82045e+03 Potential Pressure (bar) -3.38019e+06 -4.62392e+03 Step Time 5885 5885.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07116e+03 6.07495e+03 1.99064e+04 2.36774e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89248e+03 1.16615e+05 5.97751e+05 -4.13647e+06 9.82052e+03 Potential Pressure (bar) -3.38019e+06 -4.62309e+03 Step Time 5886 5886.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07810e+03 6.07875e+03 1.99064e+04 2.36734e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89143e+03 1.16616e+05 5.97756e+05 -4.13649e+06 9.82053e+03 Potential Pressure (bar) -3.38020e+06 -4.62400e+03 Step Time 5887 5887.00000 Step Time 5888 5888.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06049e+03 6.07441e+03 1.99064e+04 2.36757e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89204e+03 1.16615e+05 5.97758e+05 -4.13649e+06 9.82048e+03 Potential Pressure (bar) -3.38022e+06 -4.62331e+03 Step Time 5889 5889.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08665e+03 6.08025e+03 1.99064e+04 2.36707e+02 -1.09410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89123e+03 1.16617e+05 5.97784e+05 -4.13655e+06 9.82054e+03 Potential Pressure (bar) -3.38022e+06 -4.62381e+03 Step Time 5890 5890.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06229e+03 6.07435e+03 1.99065e+04 2.36746e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89210e+03 1.16615e+05 5.97786e+05 -4.13655e+06 9.82054e+03 Potential Pressure (bar) -3.38025e+06 -4.62278e+03 Step Time 5891 5891.00000 Step Time 5892 5892.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06690e+03 6.07637e+03 1.99065e+04 2.36722e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89157e+03 1.16616e+05 5.97792e+05 -4.13657e+06 9.82056e+03 Potential Pressure (bar) -3.38026e+06 -4.62323e+03 Step Time 5893 5893.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06506e+03 6.07453e+03 1.99065e+04 2.36750e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89220e+03 1.16615e+05 5.97796e+05 -4.13657e+06 9.82053e+03 Potential Pressure (bar) -3.38026e+06 -4.62259e+03 Step Time 5894 5894.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07245e+03 6.07760e+03 1.99065e+04 2.36714e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89141e+03 1.16616e+05 5.97801e+05 -4.13659e+06 9.82056e+03 Potential Pressure (bar) -3.38026e+06 -4.62327e+03 Step Time 5895 5895.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07123e+03 6.07509e+03 1.99065e+04 2.36755e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89232e+03 1.16614e+05 5.97806e+05 -4.13660e+06 9.82060e+03 Potential Pressure (bar) -3.38027e+06 -4.62239e+03 Step Time 5896 5896.00000 Step Time 5897 5897.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06109e+03 6.07494e+03 1.99065e+04 2.36728e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89176e+03 1.16615e+05 5.97808e+05 -4.13660e+06 9.82056e+03 Potential Pressure (bar) -3.38028e+06 -4.62277e+03 Step Time 5898 5898.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07727e+03 6.07574e+03 1.99065e+04 2.36745e+02 -1.09418e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89239e+03 1.16614e+05 5.97826e+05 -4.13664e+06 9.82064e+03 Potential Pressure (bar) -3.38029e+06 -4.62207e+03 Step Time 5899 5899.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06356e+03 6.07567e+03 1.99065e+04 2.36708e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89158e+03 1.16616e+05 5.97829e+05 -4.13666e+06 9.82056e+03 Potential Pressure (bar) -3.38031e+06 -4.62267e+03 Step Time 5900 5900.00000 Step Time 5901 5901.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06363e+03 6.07452e+03 1.99066e+04 2.36732e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89204e+03 1.16615e+05 5.97834e+05 -4.13666e+06 9.82059e+03 Potential Pressure (bar) -3.38032e+06 -4.62217e+03 Step Time 5902 5902.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06646e+03 6.07638e+03 1.99065e+04 2.36704e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89146e+03 1.16616e+05 5.97838e+05 -4.13668e+06 9.82058e+03 Potential Pressure (bar) -3.38032e+06 -4.62264e+03 Step Time 5903 5903.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06730e+03 6.07481e+03 1.99066e+04 2.36732e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89213e+03 1.16614e+05 5.97843e+05 -4.13669e+06 9.82065e+03 Potential Pressure (bar) -3.38033e+06 -4.62195e+03 Step Time 5904 5904.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07230e+03 6.07766e+03 1.99066e+04 2.36694e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89130e+03 1.16616e+05 5.97848e+05 -4.13670e+06 9.82069e+03 Potential Pressure (bar) -3.38033e+06 -4.62268e+03 Step Time 5905 5905.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07510e+03 6.07558e+03 1.99066e+04 2.36737e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89228e+03 1.16614e+05 5.97853e+05 -4.13671e+06 9.82073e+03 Potential Pressure (bar) -3.38033e+06 -4.62173e+03 Step Time 5906 5906.00000 Step Time 5907 5907.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06088e+03 6.07491e+03 1.99066e+04 2.36708e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89167e+03 1.16615e+05 5.97854e+05 -4.13672e+06 9.82067e+03 Potential Pressure (bar) -3.38035e+06 -4.62213e+03 Step Time 5908 5908.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08238e+03 6.07651e+03 1.99066e+04 2.36724e+02 -1.09418e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89233e+03 1.16614e+05 5.97886e+05 -4.13679e+06 9.82078e+03 Potential Pressure (bar) -3.38037e+06 -4.62127e+03 Step Time 5909 5909.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06319e+03 6.07559e+03 1.99066e+04 2.36687e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89144e+03 1.16615e+05 5.97888e+05 -4.13680e+06 9.82074e+03 Potential Pressure (bar) -3.38039e+06 -4.62188e+03 Step Time 5910 5910.00000 Step Time 5911 5911.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06533e+03 6.07476e+03 1.99066e+04 2.36707e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89194e+03 1.16615e+05 5.97894e+05 -4.13681e+06 9.82077e+03 Potential Pressure (bar) -3.38040e+06 -4.62136e+03 Step Time 5912 5912.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06608e+03 6.07632e+03 1.99066e+04 2.36680e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89131e+03 1.16616e+05 5.97898e+05 -4.13682e+06 9.82071e+03 Potential Pressure (bar) -3.38040e+06 -4.62187e+03 Step Time 5913 5913.00000 Step Time 5914 5914.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06080e+03 6.07466e+03 1.99067e+04 2.36692e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89167e+03 1.16615e+05 5.97901e+05 -4.13682e+06 9.82072e+03 Potential Pressure (bar) -3.38041e+06 -4.62148e+03 Step Time 5915 5915.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06889e+03 6.07690e+03 1.99067e+04 2.36672e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89121e+03 1.16616e+05 5.97914e+05 -4.13686e+06 9.82077e+03 Potential Pressure (bar) -3.38042e+06 -4.62176e+03 Step Time 5916 5916.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06170e+03 6.07463e+03 1.99067e+04 2.36692e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89173e+03 1.16615e+05 5.97917e+05 -4.13686e+06 9.82084e+03 Potential Pressure (bar) -3.38043e+06 -4.62120e+03 Step Time 5917 5917.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07390e+03 6.07799e+03 1.99067e+04 2.36661e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89107e+03 1.16616e+05 5.97925e+05 -4.13689e+06 9.82081e+03 Potential Pressure (bar) -3.38043e+06 -4.62173e+03 Step Time 5918 5918.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06451e+03 6.07476e+03 1.99067e+04 2.36691e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89183e+03 1.16614e+05 5.97928e+05 -4.13689e+06 9.82083e+03 Potential Pressure (bar) -3.38045e+06 -4.62096e+03 Step Time 5919 5919.00000 Step Time 5920 5920.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06270e+03 6.07554e+03 1.99067e+04 2.36673e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89135e+03 1.16615e+05 5.97931e+05 -4.13690e+06 9.82079e+03 Potential Pressure (bar) -3.38046e+06 -4.62130e+03 Step Time 5921 5921.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06760e+03 6.07505e+03 1.99067e+04 2.36690e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89190e+03 1.16614e+05 5.97939e+05 -4.13692e+06 9.82085e+03 Potential Pressure (bar) -3.38046e+06 -4.62076e+03 Step Time 5922 5922.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06559e+03 6.07626e+03 1.99067e+04 2.36662e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89122e+03 1.16615e+05 5.97942e+05 -4.13693e+06 9.82087e+03 Potential Pressure (bar) -3.38047e+06 -4.62128e+03 Step Time 5923 5923.00000 Step Time 5924 5924.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06122e+03 6.07469e+03 1.99067e+04 2.36677e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89160e+03 1.16615e+05 5.97945e+05 -4.13693e+06 9.82085e+03 Potential Pressure (bar) -3.38048e+06 -4.62087e+03 Step Time 5925 5925.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06850e+03 6.07693e+03 1.99067e+04 2.36655e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89111e+03 1.16615e+05 5.97953e+05 -4.13695e+06 9.82093e+03 Potential Pressure (bar) -3.38048e+06 -4.62123e+03 Step Time 5926 5926.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06268e+03 6.07473e+03 1.99068e+04 2.36674e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89167e+03 1.16614e+05 5.97957e+05 -4.13696e+06 9.82094e+03 Potential Pressure (bar) -3.38049e+06 -4.62062e+03 Step Time 5927 5927.00000 Step Time 5928 5928.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06201e+03 6.07540e+03 1.99068e+04 2.36661e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89131e+03 1.16615e+05 5.97960e+05 -4.13697e+06 9.82093e+03 Potential Pressure (bar) -3.38049e+06 -4.62089e+03 Step Time 5929 5929.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06434e+03 6.07484e+03 1.99068e+04 2.36677e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89171e+03 1.16614e+05 5.97967e+05 -4.13698e+06 9.82095e+03 Potential Pressure (bar) -3.38050e+06 -4.62048e+03 Step Time 5930 5930.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06371e+03 6.07588e+03 1.99068e+04 2.36655e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89121e+03 1.16615e+05 5.97970e+05 -4.13700e+06 9.82090e+03 Potential Pressure (bar) -3.38051e+06 -4.62084e+03 Step Time 5931 5931.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06764e+03 6.07512e+03 1.99068e+04 2.36676e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89179e+03 1.16614e+05 5.97977e+05 -4.13701e+06 9.82097e+03 Potential Pressure (bar) -3.38051e+06 -4.62025e+03 Step Time 5932 5932.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06741e+03 6.07675e+03 1.99068e+04 2.36643e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89108e+03 1.16615e+05 5.97981e+05 -4.13702e+06 9.82098e+03 Potential Pressure (bar) -3.38052e+06 -4.62085e+03 Step Time 5933 5933.00000 Step Time 5934 5934.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06109e+03 6.07479e+03 1.99068e+04 2.36659e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89148e+03 1.16614e+05 5.97983e+05 -4.13702e+06 9.82093e+03 Potential Pressure (bar) -3.38053e+06 -4.62041e+03 Step Time 5935 5935.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07102e+03 6.07752e+03 1.99068e+04 2.36638e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89096e+03 1.16615e+05 5.97994e+05 -4.13705e+06 9.82102e+03 Potential Pressure (bar) -3.38053e+06 -4.62080e+03 Step Time 5936 5936.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06249e+03 6.07480e+03 1.99068e+04 2.36654e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89156e+03 1.16614e+05 5.97998e+05 -4.13706e+06 9.82103e+03 Potential Pressure (bar) -3.38054e+06 -4.62017e+03 Step Time 5937 5937.00000 Step Time 5938 5938.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06278e+03 6.07570e+03 1.99068e+04 2.36639e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89118e+03 1.16615e+05 5.98001e+05 -4.13707e+06 9.82099e+03 Potential Pressure (bar) -3.38055e+06 -4.62043e+03 Step Time 5939 5939.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06421e+03 6.07487e+03 1.99068e+04 2.36652e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89161e+03 1.16614e+05 5.98008e+05 -4.13708e+06 9.82108e+03 Potential Pressure (bar) -3.38056e+06 -4.61995e+03 Step Time 5940 5940.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06502e+03 6.07627e+03 1.99068e+04 2.36630e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89107e+03 1.16615e+05 5.98011e+05 -4.13709e+06 9.82108e+03 Potential Pressure (bar) -3.38056e+06 -4.62038e+03 Step Time 5941 5941.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06771e+03 6.07513e+03 1.99069e+04 2.36656e+02 -1.09418e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89169e+03 1.16614e+05 5.98017e+05 -4.13710e+06 9.82113e+03 Potential Pressure (bar) -3.38056e+06 -4.61977e+03 Step Time 5942 5942.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06965e+03 6.07734e+03 1.99068e+04 2.36625e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89092e+03 1.16615e+05 5.98021e+05 -4.13711e+06 9.82111e+03 Potential Pressure (bar) -3.38057e+06 -4.62040e+03 Step Time 5943 5943.00000 Step Time 5944 5944.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06102e+03 6.07489e+03 1.99069e+04 2.36641e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89137e+03 1.16614e+05 5.98024e+05 -4.13712e+06 9.82113e+03 Potential Pressure (bar) -3.38058e+06 -4.61989e+03 Step Time 5945 5945.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07412e+03 6.07823e+03 1.99069e+04 2.36610e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89079e+03 1.16615e+05 5.98039e+05 -4.13716e+06 9.82117e+03 Potential Pressure (bar) -3.38059e+06 -4.62032e+03 Step Time 5946 5946.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06230e+03 6.07485e+03 1.99069e+04 2.36633e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89143e+03 1.16614e+05 5.98042e+05 -4.13716e+06 9.82116e+03 Potential Pressure (bar) -3.38061e+06 -4.61962e+03 Step Time 5947 5947.00000 Step Time 5948 5948.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06384e+03 6.07603e+03 1.99069e+04 2.36618e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89102e+03 1.16615e+05 5.98046e+05 -4.13717e+06 9.82115e+03 Potential Pressure (bar) -3.38061e+06 -4.61989e+03 Step Time 5949 5949.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06403e+03 6.07494e+03 1.99069e+04 2.36636e+02 -1.09418e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89149e+03 1.16614e+05 5.98052e+05 -4.13718e+06 9.82124e+03 Potential Pressure (bar) -3.38062e+06 -4.61940e+03 Step Time 5950 5950.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06668e+03 6.07673e+03 1.99069e+04 2.36613e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89091e+03 1.16615e+05 5.98056e+05 -4.13720e+06 9.82119e+03 Potential Pressure (bar) -3.38062e+06 -4.61988e+03 Step Time 5951 5951.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06773e+03 6.07523e+03 1.99069e+04 2.36636e+02 -1.09418e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89158e+03 1.16614e+05 5.98061e+05 -4.13720e+06 9.82124e+03 Potential Pressure (bar) -3.38062e+06 -4.61922e+03 Step Time 5952 5952.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07243e+03 6.07801e+03 1.99069e+04 2.36605e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89075e+03 1.16615e+05 5.98065e+05 -4.13722e+06 9.82125e+03 Potential Pressure (bar) -3.38063e+06 -4.61992e+03 Step Time 5953 5953.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07557e+03 6.07600e+03 1.99070e+04 2.36640e+02 -1.09419e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89173e+03 1.16614e+05 5.98070e+05 -4.13723e+06 9.82132e+03 Potential Pressure (bar) -3.38063e+06 -4.61897e+03 Step Time 5954 5954.00000 Step Time 5955 5955.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06122e+03 6.07531e+03 1.99069e+04 2.36616e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89112e+03 1.16615e+05 5.98072e+05 -4.13723e+06 9.82125e+03 Potential Pressure (bar) -3.38065e+06 -4.61938e+03 Step Time 5956 5956.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08293e+03 6.07690e+03 1.99070e+04 2.36623e+02 -1.09420e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89176e+03 1.16613e+05 5.98106e+05 -4.13731e+06 9.82146e+03 Potential Pressure (bar) -3.38067e+06 -4.61845e+03 Step Time 5957 5957.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06348e+03 6.07601e+03 1.99070e+04 2.36594e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89089e+03 1.16615e+05 5.98108e+05 -4.13732e+06 9.82142e+03 Potential Pressure (bar) -3.38070e+06 -4.61908e+03 Step Time 5958 5958.00000 Step Time 5959 5959.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06580e+03 6.07515e+03 1.99070e+04 2.36609e+02 -1.09418e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89138e+03 1.16614e+05 5.98114e+05 -4.13733e+06 9.82143e+03 Potential Pressure (bar) -3.38070e+06 -4.61855e+03 Step Time 5960 5960.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06631e+03 6.07674e+03 1.99070e+04 2.36588e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89077e+03 1.16615e+05 5.98118e+05 -4.13735e+06 9.82138e+03 Potential Pressure (bar) -3.38071e+06 -4.61909e+03 Step Time 5961 5961.00000 Step Time 5962 5962.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06119e+03 6.07507e+03 1.99070e+04 2.36597e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89112e+03 1.16614e+05 5.98120e+05 -4.13735e+06 9.82142e+03 Potential Pressure (bar) -3.38072e+06 -4.61867e+03 Step Time 5963 5963.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06906e+03 6.07735e+03 1.99070e+04 2.36580e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89067e+03 1.16615e+05 5.98132e+05 -4.13738e+06 9.82148e+03 Potential Pressure (bar) -3.38073e+06 -4.61898e+03 Step Time 5964 5964.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06215e+03 6.07503e+03 1.99070e+04 2.36597e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89118e+03 1.16614e+05 5.98136e+05 -4.13739e+06 9.82149e+03 Potential Pressure (bar) -3.38074e+06 -4.61835e+03 Step Time 5965 5965.00000 Step Time 5966 5966.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06270e+03 6.07589e+03 1.99070e+04 2.36583e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89085e+03 1.16615e+05 5.98139e+05 -4.13740e+06 9.82152e+03 Potential Pressure (bar) -3.38074e+06 -4.61862e+03 Step Time 5967 5967.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06334e+03 6.07508e+03 1.99071e+04 2.36591e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89122e+03 1.16614e+05 5.98145e+05 -4.13741e+06 9.82157e+03 Potential Pressure (bar) -3.38075e+06 -4.61819e+03 Step Time 5968 5968.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06445e+03 6.07635e+03 1.99071e+04 2.36576e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89075e+03 1.16615e+05 5.98149e+05 -4.13742e+06 9.82157e+03 Potential Pressure (bar) -3.38075e+06 -4.61857e+03 Step Time 5969 5969.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06583e+03 6.07525e+03 1.99071e+04 2.36591e+02 -1.09418e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89128e+03 1.16614e+05 5.98155e+05 -4.13743e+06 9.82164e+03 Potential Pressure (bar) -3.38075e+06 -4.61802e+03 Step Time 5970 5970.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06802e+03 6.07721e+03 1.99071e+04 2.36564e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89062e+03 1.16615e+05 5.98158e+05 -4.13744e+06 9.82157e+03 Potential Pressure (bar) -3.38076e+06 -4.61858e+03 Step Time 5971 5971.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07104e+03 6.07571e+03 1.99071e+04 2.36590e+02 -1.09419e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89140e+03 1.16613e+05 5.98164e+05 -4.13745e+06 9.82166e+03 Potential Pressure (bar) -3.38076e+06 -4.61782e+03 Step Time 5972 5972.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07533e+03 6.07880e+03 1.99071e+04 2.36557e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89044e+03 1.16615e+05 5.98168e+05 -4.13746e+06 9.82166e+03 Potential Pressure (bar) -3.38077e+06 -4.61866e+03 Step Time 5973 5973.00000 Step Time 5974 5974.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06128e+03 6.07518e+03 1.99071e+04 2.36574e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89099e+03 1.16614e+05 5.98171e+05 -4.13747e+06 9.82168e+03 Potential Pressure (bar) -3.38079e+06 -4.61800e+03 Step Time 5975 5975.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08237e+03 6.08015e+03 1.99071e+04 2.36546e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89029e+03 1.16615e+05 5.98189e+05 -4.13752e+06 9.82176e+03 Potential Pressure (bar) -3.38079e+06 -4.61856e+03 Step Time 5976 5976.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06303e+03 6.07515e+03 1.99071e+04 2.36572e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89107e+03 1.16614e+05 5.98192e+05 -4.13752e+06 9.82173e+03 Potential Pressure (bar) -3.38081e+06 -4.61763e+03 Step Time 5977 5977.00000 Step Time 5978 5978.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06611e+03 6.07681e+03 1.99071e+04 2.36552e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89058e+03 1.16615e+05 5.98197e+05 -4.13754e+06 9.82176e+03 Potential Pressure (bar) -3.38082e+06 -4.61805e+03 Step Time 5979 5979.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06557e+03 6.07531e+03 1.99072e+04 2.36573e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89116e+03 1.16614e+05 5.98202e+05 -4.13754e+06 9.82178e+03 Potential Pressure (bar) -3.38082e+06 -4.61743e+03 Step Time 5980 5980.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07064e+03 6.07783e+03 1.99071e+04 2.36544e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89044e+03 1.16615e+05 5.98206e+05 -4.13756e+06 9.82180e+03 Potential Pressure (bar) -3.38083e+06 -4.61803e+03 Step Time 5981 5981.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07108e+03 6.07579e+03 1.99072e+04 2.36572e+02 -1.09418e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89128e+03 1.16613e+05 5.98212e+05 -4.13757e+06 9.82188e+03 Potential Pressure (bar) -3.38083e+06 -4.61719e+03 Step Time 5982 5982.00000 Step Time 5983 5983.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06156e+03 6.07561e+03 1.99072e+04 2.36549e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89076e+03 1.16614e+05 5.98214e+05 -4.13757e+06 9.82186e+03 Potential Pressure (bar) -3.38085e+06 -4.61758e+03 Step Time 5984 5984.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07637e+03 6.07640e+03 1.99072e+04 2.36570e+02 -1.09418e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89134e+03 1.16613e+05 5.98237e+05 -4.13763e+06 9.82197e+03 Potential Pressure (bar) -3.38086e+06 -4.61682e+03 Step Time 5985 5985.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06346e+03 6.07625e+03 1.99072e+04 2.36537e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89057e+03 1.16614e+05 5.98239e+05 -4.13764e+06 9.82192e+03 Potential Pressure (bar) -3.38088e+06 -4.61736e+03 Step Time 5986 5986.00000 Step Time 5987 5987.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06426e+03 6.07532e+03 1.99072e+04 2.36548e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89100e+03 1.16614e+05 5.98245e+05 -4.13764e+06 9.82195e+03 Potential Pressure (bar) -3.38088e+06 -4.61691e+03 Step Time 5988 5988.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06578e+03 6.07684e+03 1.99072e+04 2.36528e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89047e+03 1.16614e+05 5.98249e+05 -4.13766e+06 9.82190e+03 Potential Pressure (bar) -3.38089e+06 -4.61735e+03 Step Time 5989 5989.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06759e+03 6.07556e+03 1.99072e+04 2.36549e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89109e+03 1.16613e+05 5.98254e+05 -4.13767e+06 9.82198e+03 Potential Pressure (bar) -3.38089e+06 -4.61671e+03 Step Time 5990 5990.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07053e+03 6.07794e+03 1.99072e+04 2.36519e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89032e+03 1.16615e+05 5.98258e+05 -4.13768e+06 9.82198e+03 Potential Pressure (bar) -3.38090e+06 -4.61736e+03 Step Time 5991 5991.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07453e+03 6.07622e+03 1.99073e+04 2.36550e+02 -1.09418e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89123e+03 1.16613e+05 5.98263e+05 -4.13769e+06 9.82208e+03 Potential Pressure (bar) -3.38090e+06 -4.61647e+03 Step Time 5992 5992.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08027e+03 6.08001e+03 1.99072e+04 2.36507e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89013e+03 1.16615e+05 5.98267e+05 -4.13771e+06 9.82204e+03 Potential Pressure (bar) -3.38090e+06 -4.61748e+03 Step Time 5993 5993.00000 Step Time 5994 5994.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06148e+03 6.07538e+03 1.99073e+04 2.36529e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89076e+03 1.16614e+05 5.98270e+05 -4.13771e+06 9.82204e+03 Potential Pressure (bar) -3.38092e+06 -4.61671e+03 Step Time 5995 5995.00000 Step Time 5996 5996.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06733e+03 6.07721e+03 1.99073e+04 2.36514e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89035e+03 1.16614e+05 5.98279e+05 -4.13773e+06 9.82212e+03 Potential Pressure (bar) -3.38093e+06 -4.61699e+03 Step Time 5997 5997.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06231e+03 6.07532e+03 1.99073e+04 2.36528e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89081e+03 1.16614e+05 5.98283e+05 -4.13774e+06 9.82215e+03 Potential Pressure (bar) -3.38094e+06 -4.61650e+03 Step Time 5998 5998.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07120e+03 6.07810e+03 1.99073e+04 2.36504e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89024e+03 1.16615e+05 5.98290e+05 -4.13776e+06 9.82213e+03 Potential Pressure (bar) -3.38094e+06 -4.61699e+03 Step Time 5999 5999.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06471e+03 6.07541e+03 1.99073e+04 2.36528e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89090e+03 1.16613e+05 5.98294e+05 -4.13776e+06 9.82217e+03 Potential Pressure (bar) -3.38095e+06 -4.61627e+03 Step Time 6000 6000.00000 Step Time 6001 6001.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06269e+03 6.07609e+03 1.99073e+04 2.36511e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89048e+03 1.16614e+05 5.98297e+05 -4.13777e+06 9.82214e+03 Potential Pressure (bar) -3.38096e+06 -4.61658e+03 Step Time 6002 6002.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06729e+03 6.07562e+03 1.99073e+04 2.36526e+02 -1.09417e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89096e+03 1.16613e+05 5.98304e+05 -4.13779e+06 9.82226e+03 Potential Pressure (bar) -3.38096e+06 -4.61605e+03 Step Time 6003 6003.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06485e+03 6.07672e+03 1.99073e+04 2.36502e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89035e+03 1.16614e+05 5.98308e+05 -4.13780e+06 9.82224e+03 Potential Pressure (bar) -3.38097e+06 -4.61654e+03 Step Time 6004 6004.00000 Step Time 6005 6005.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06188e+03 6.07539e+03 1.99073e+04 2.36515e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89070e+03 1.16614e+05 5.98312e+05 -4.13780e+06 9.82225e+03 Potential Pressure (bar) -3.38098e+06 -4.61615e+03 Step Time 6006 6006.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06705e+03 6.07725e+03 1.99073e+04 2.36490e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89026e+03 1.16614e+05 5.98318e+05 -4.13782e+06 9.82230e+03 Potential Pressure (bar) -3.38098e+06 -4.61650e+03 Step Time 6007 6007.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06318e+03 6.07540e+03 1.99073e+04 2.36510e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89075e+03 1.16613e+05 5.98322e+05 -4.13783e+06 9.82234e+03 Potential Pressure (bar) -3.38099e+06 -4.61595e+03 Step Time 6008 6008.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07115e+03 6.07817e+03 1.99073e+04 2.36484e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89014e+03 1.16614e+05 5.98328e+05 -4.13785e+06 9.82239e+03 Potential Pressure (bar) -3.38099e+06 -4.61644e+03 Step Time 6009 6009.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06641e+03 6.07560e+03 1.99074e+04 2.36512e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89086e+03 1.16613e+05 5.98332e+05 -4.13785e+06 9.82231e+03 Potential Pressure (bar) -3.38100e+06 -4.61571e+03 Step Time 6010 6010.00000 Step Time 6011 6011.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06237e+03 6.07608e+03 1.99074e+04 2.36496e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89041e+03 1.16614e+05 5.98335e+05 -4.13786e+06 9.82232e+03 Potential Pressure (bar) -3.38101e+06 -4.61605e+03 Step Time 6012 6012.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06973e+03 6.07594e+03 1.99074e+04 2.36509e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89092e+03 1.16613e+05 5.98345e+05 -4.13788e+06 9.82244e+03 Potential Pressure (bar) -3.38101e+06 -4.61548e+03 Step Time 6013 6013.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06450e+03 6.07669e+03 1.99074e+04 2.36485e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89028e+03 1.16614e+05 5.98348e+05 -4.13789e+06 9.82244e+03 Potential Pressure (bar) -3.38102e+06 -4.61599e+03 Step Time 6014 6014.00000 Step Time 6015 6015.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06249e+03 6.07548e+03 1.99074e+04 2.36499e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89065e+03 1.16613e+05 5.98352e+05 -4.13790e+06 9.82245e+03 Potential Pressure (bar) -3.38103e+06 -4.61557e+03 Step Time 6016 6016.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06674e+03 6.07725e+03 1.99074e+04 2.36475e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89018e+03 1.16614e+05 5.98357e+05 -4.13791e+06 9.82246e+03 Potential Pressure (bar) -3.38103e+06 -4.61594e+03 Step Time 6017 6017.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06433e+03 6.07555e+03 1.99074e+04 2.36495e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89072e+03 1.16613e+05 5.98362e+05 -4.13792e+06 9.82252e+03 Potential Pressure (bar) -3.38104e+06 -4.61538e+03 Step Time 6018 6018.00000 Step Time 6019 6019.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06196e+03 6.07597e+03 1.99074e+04 2.36479e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89038e+03 1.16614e+05 5.98364e+05 -4.13793e+06 9.82252e+03 Potential Pressure (bar) -3.38105e+06 -4.61564e+03 Step Time 6020 6020.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06621e+03 6.07570e+03 1.99074e+04 2.36491e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89076e+03 1.16613e+05 5.98376e+05 -4.13796e+06 9.82257e+03 Potential Pressure (bar) -3.38106e+06 -4.61516e+03 Step Time 6021 6021.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06312e+03 6.07636e+03 1.99074e+04 2.36468e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89027e+03 1.16614e+05 5.98379e+05 -4.13796e+06 9.82256e+03 Potential Pressure (bar) -3.38107e+06 -4.61553e+03 Step Time 6022 6022.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06975e+03 6.07602e+03 1.99074e+04 2.36490e+02 -1.09416e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89082e+03 1.16613e+05 5.98388e+05 -4.13798e+06 9.82262e+03 Potential Pressure (bar) -3.38107e+06 -4.61496e+03 Step Time 6023 6023.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06592e+03 6.07710e+03 1.99074e+04 2.36460e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89013e+03 1.16614e+05 5.98390e+05 -4.13799e+06 9.82264e+03 Potential Pressure (bar) -3.38108e+06 -4.61550e+03 Step Time 6024 6024.00000 Step Time 6025 6025.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06227e+03 6.07556e+03 1.99075e+04 2.36474e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89053e+03 1.16613e+05 5.98393e+05 -4.13799e+06 9.82264e+03 Potential Pressure (bar) -3.38109e+06 -4.61506e+03 Step Time 6026 6026.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06880e+03 6.07774e+03 1.99075e+04 2.36453e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89003e+03 1.16614e+05 5.98400e+05 -4.13802e+06 9.82274e+03 Potential Pressure (bar) -3.38109e+06 -4.61546e+03 Step Time 6027 6027.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06407e+03 6.07562e+03 1.99075e+04 2.36477e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89061e+03 1.16613e+05 5.98404e+05 -4.13802e+06 9.82272e+03 Potential Pressure (bar) -3.38110e+06 -4.61484e+03 Step Time 6028 6028.00000 Step Time 6029 6029.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06248e+03 6.07621e+03 1.99075e+04 2.36459e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89024e+03 1.16614e+05 5.98407e+05 -4.13803e+06 9.82274e+03 Potential Pressure (bar) -3.38111e+06 -4.61512e+03 Step Time 6030 6030.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06602e+03 6.07577e+03 1.99075e+04 2.36473e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89065e+03 1.16613e+05 5.98415e+05 -4.13805e+06 9.82277e+03 Potential Pressure (bar) -3.38112e+06 -4.61465e+03 Step Time 6031 6031.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06408e+03 6.07667e+03 1.99075e+04 2.36451e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89014e+03 1.16614e+05 5.98418e+05 -4.13806e+06 9.82281e+03 Potential Pressure (bar) -3.38113e+06 -4.61506e+03 Step Time 6032 6032.00000 Step Time 6033 6033.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06194e+03 6.07563e+03 1.99075e+04 2.36461e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89043e+03 1.16613e+05 5.98422e+05 -4.13807e+06 9.82284e+03 Potential Pressure (bar) -3.38113e+06 -4.61474e+03 Step Time 6034 6034.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06572e+03 6.07709e+03 1.99075e+04 2.36441e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89005e+03 1.16614e+05 5.98429e+05 -4.13808e+06 9.82284e+03 Potential Pressure (bar) -3.38114e+06 -4.61499e+03 Step Time 6035 6035.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06293e+03 6.07563e+03 1.99075e+04 2.36459e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89048e+03 1.16613e+05 5.98433e+05 -4.13809e+06 9.82282e+03 Potential Pressure (bar) -3.38114e+06 -4.61450e+03 Step Time 6036 6036.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06875e+03 6.07780e+03 1.99075e+04 2.36434e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88994e+03 1.16614e+05 5.98438e+05 -4.13811e+06 9.82287e+03 Potential Pressure (bar) -3.38115e+06 -4.61493e+03 Step Time 6037 6037.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06536e+03 6.07576e+03 1.99075e+04 2.36458e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89056e+03 1.16613e+05 5.98442e+05 -4.13812e+06 9.82289e+03 Potential Pressure (bar) -3.38116e+06 -4.61428e+03 Step Time 6038 6038.00000 Step Time 6039 6039.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06227e+03 6.07620e+03 1.99075e+04 2.36438e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89018e+03 1.16614e+05 5.98445e+05 -4.13812e+06 9.82292e+03 Potential Pressure (bar) -3.38116e+06 -4.61458e+03 Step Time 6040 6040.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06785e+03 6.07598e+03 1.99076e+04 2.36453e+02 -1.09415e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89061e+03 1.16613e+05 5.98456e+05 -4.13815e+06 9.82301e+03 Potential Pressure (bar) -3.38117e+06 -4.61409e+03 Step Time 6041 6041.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06385e+03 6.07667e+03 1.99076e+04 2.36431e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89005e+03 1.16614e+05 5.98458e+05 -4.13815e+06 9.82297e+03 Potential Pressure (bar) -3.38118e+06 -4.61450e+03 Step Time 6042 6042.00000 Step Time 6043 6043.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06243e+03 6.07569e+03 1.99076e+04 2.36443e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89038e+03 1.16613e+05 5.98463e+05 -4.13816e+06 9.82301e+03 Potential Pressure (bar) -3.38118e+06 -4.61415e+03 Step Time 6044 6044.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06552e+03 6.07710e+03 1.99076e+04 2.36424e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88997e+03 1.16614e+05 5.98468e+05 -4.13818e+06 9.82298e+03 Potential Pressure (bar) -3.38119e+06 -4.61444e+03 Step Time 6045 6045.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06381e+03 6.07573e+03 1.99076e+04 2.36444e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89044e+03 1.16613e+05 5.98472e+05 -4.13818e+06 9.82306e+03 Potential Pressure (bar) -3.38120e+06 -4.61396e+03 Step Time 6046 6046.00000 Step Time 6047 6047.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06198e+03 6.07612e+03 1.99076e+04 2.36429e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89015e+03 1.16613e+05 5.98475e+05 -4.13819e+06 9.82308e+03 Potential Pressure (bar) -3.38120e+06 -4.61417e+03 Step Time 6048 6048.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06523e+03 6.07586e+03 1.99076e+04 2.36434e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89045e+03 1.16613e+05 5.98487e+05 -4.13822e+06 9.82312e+03 Potential Pressure (bar) -3.38121e+06 -4.61372e+03 Step Time 6049 6049.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06284e+03 6.07644e+03 1.99076e+04 2.36419e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89004e+03 1.16613e+05 5.98490e+05 -4.13822e+06 9.82312e+03 Potential Pressure (bar) -3.38122e+06 -4.61403e+03 Step Time 6050 6050.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06789e+03 6.07607e+03 1.99076e+04 2.36431e+02 -1.09414e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89051e+03 1.16613e+05 5.98498e+05 -4.13824e+06 9.82319e+03 Potential Pressure (bar) -3.38122e+06 -4.61348e+03 Step Time 6051 6051.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06491e+03 6.07703e+03 1.99076e+04 2.36410e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88991e+03 1.16614e+05 5.98502e+05 -4.13825e+06 9.82319e+03 Potential Pressure (bar) -3.38123e+06 -4.61399e+03 Step Time 6052 6052.00000 Step Time 6053 6053.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06228e+03 6.07580e+03 1.99076e+04 2.36422e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89025e+03 1.16613e+05 5.98505e+05 -4.13826e+06 9.82321e+03 Potential Pressure (bar) -3.38124e+06 -4.61361e+03 Step Time 6054 6054.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06705e+03 6.07752e+03 1.99076e+04 2.36401e+02 -1.09410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88982e+03 1.16614e+05 5.98512e+05 -4.13828e+06 9.82326e+03 Potential Pressure (bar) -3.38124e+06 -4.61390e+03 Step Time 6055 6055.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06365e+03 6.07582e+03 1.99077e+04 2.36418e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89031e+03 1.16613e+05 5.98516e+05 -4.13828e+06 9.82330e+03 Potential Pressure (bar) -3.38125e+06 -4.61339e+03 Step Time 6056 6056.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07097e+03 6.07843e+03 1.99077e+04 2.36394e+02 -1.09410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88970e+03 1.16614e+05 5.98522e+05 -4.13830e+06 9.82330e+03 Potential Pressure (bar) -3.38125e+06 -4.61394e+03 Step Time 6057 6057.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06697e+03 6.07606e+03 1.99077e+04 2.36421e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89041e+03 1.16613e+05 5.98525e+05 -4.13831e+06 9.82335e+03 Potential Pressure (bar) -3.38126e+06 -4.61318e+03 Step Time 6058 6058.00000 Step Time 6059 6059.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06254e+03 6.07644e+03 1.99077e+04 2.36401e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88997e+03 1.16613e+05 5.98528e+05 -4.13831e+06 9.82339e+03 Potential Pressure (bar) -3.38127e+06 -4.61352e+03 Step Time 6060 6060.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07037e+03 6.07635e+03 1.99077e+04 2.36415e+02 -1.09413e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89048e+03 1.16612e+05 5.98539e+05 -4.13834e+06 9.82339e+03 Potential Pressure (bar) -3.38127e+06 -4.61296e+03 Step Time 6061 6061.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06454e+03 6.07703e+03 1.99077e+04 2.36388e+02 -1.09410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88984e+03 1.16614e+05 5.98542e+05 -4.13834e+06 9.82341e+03 Potential Pressure (bar) -3.38128e+06 -4.61348e+03 Step Time 6062 6062.00000 Step Time 6063 6063.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06295e+03 6.07585e+03 1.99077e+04 2.36402e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89021e+03 1.16613e+05 5.98546e+05 -4.13835e+06 9.82340e+03 Potential Pressure (bar) -3.38129e+06 -4.61302e+03 Step Time 6064 6064.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06672e+03 6.07755e+03 1.99077e+04 2.36381e+02 -1.09409e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88974e+03 1.16614e+05 5.98551e+05 -4.13837e+06 9.82346e+03 Potential Pressure (bar) -3.38129e+06 -4.61341e+03 Step Time 6065 6065.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06485e+03 6.07595e+03 1.99077e+04 2.36402e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89028e+03 1.16613e+05 5.98556e+05 -4.13837e+06 9.82350e+03 Potential Pressure (bar) -3.38130e+06 -4.61286e+03 Step Time 6066 6066.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07089e+03 6.07849e+03 1.99077e+04 2.36375e+02 -1.09409e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88962e+03 1.16614e+05 5.98560e+05 -4.13839e+06 9.82352e+03 Potential Pressure (bar) -3.38130e+06 -4.61342e+03 Step Time 6067 6067.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06917e+03 6.07630e+03 1.99077e+04 2.36402e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89040e+03 1.16612e+05 5.98564e+05 -4.13839e+06 9.82354e+03 Potential Pressure (bar) -3.38131e+06 -4.61262e+03 Step Time 6068 6068.00000 Step Time 6069 6069.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06229e+03 6.07642e+03 1.99077e+04 2.36383e+02 -1.09410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88992e+03 1.16613e+05 5.98567e+05 -4.13840e+06 9.82353e+03 Potential Pressure (bar) -3.38132e+06 -4.61297e+03 Step Time 6070 6070.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07347e+03 6.07668e+03 1.99078e+04 2.36397e+02 -1.09412e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89045e+03 1.16612e+05 5.98583e+05 -4.13844e+06 9.82365e+03 Potential Pressure (bar) -3.38133e+06 -4.61232e+03 Step Time 6071 6071.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06421e+03 6.07700e+03 1.99078e+04 2.36370e+02 -1.09409e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88976e+03 1.16613e+05 5.98585e+05 -4.13845e+06 9.82360e+03 Potential Pressure (bar) -3.38134e+06 -4.61288e+03 Step Time 6072 6072.00000 Step Time 6073 6073.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06384e+03 6.07596e+03 1.99078e+04 2.36382e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89015e+03 1.16613e+05 5.98590e+05 -4.13845e+06 9.82365e+03 Potential Pressure (bar) -3.38135e+06 -4.61240e+03 Step Time 6074 6074.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06642e+03 6.07758e+03 1.99078e+04 2.36361e+02 -1.09409e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88966e+03 1.16614e+05 5.98594e+05 -4.13847e+06 9.82362e+03 Potential Pressure (bar) -3.38135e+06 -4.61281e+03 Step Time 6075 6075.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06641e+03 6.07612e+03 1.99078e+04 2.36383e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89024e+03 1.16612e+05 5.98599e+05 -4.13848e+06 9.82368e+03 Potential Pressure (bar) -3.38136e+06 -4.61220e+03 Step Time 6076 6076.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07078e+03 6.07858e+03 1.99078e+04 2.36353e+02 -1.09408e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88952e+03 1.16614e+05 5.98604e+05 -4.13849e+06 9.82371e+03 Potential Pressure (bar) -3.38136e+06 -4.61284e+03 Step Time 6077 6077.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07194e+03 6.07660e+03 1.99078e+04 2.36384e+02 -1.09411e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89037e+03 1.16612e+05 5.98608e+05 -4.13850e+06 9.82379e+03 Potential Pressure (bar) -3.38137e+06 -4.61197e+03 Step Time 6078 6078.00000 Step Time 6079 6079.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06212e+03 6.07640e+03 1.99078e+04 2.36365e+02 -1.09409e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88985e+03 1.16613e+05 5.98610e+05 -4.13851e+06 9.82373e+03 Potential Pressure (bar) -3.38138e+06 -4.61237e+03 Step Time 6080 6080.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07720e+03 6.07719e+03 1.99078e+04 2.36371e+02 -1.09410e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89041e+03 1.16612e+05 5.98636e+05 -4.13857e+06 9.82386e+03 Potential Pressure (bar) -3.38140e+06 -4.61157e+03 Step Time 6081 6081.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06393e+03 6.07698e+03 1.99078e+04 2.36343e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88966e+03 1.16613e+05 5.98639e+05 -4.13858e+06 9.82386e+03 Potential Pressure (bar) -3.38142e+06 -4.61213e+03 Step Time 6082 6082.00000 Step Time 6083 6083.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06503e+03 6.07614e+03 1.99078e+04 2.36357e+02 -1.09409e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89008e+03 1.16612e+05 5.98644e+05 -4.13859e+06 9.82399e+03 Potential Pressure (bar) -3.38142e+06 -4.61167e+03 Step Time 6084 6084.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06614e+03 6.07758e+03 1.99078e+04 2.36335e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88955e+03 1.16613e+05 5.98648e+05 -4.13860e+06 9.82394e+03 Potential Pressure (bar) -3.38143e+06 -4.61210e+03 Step Time 6085 6085.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06840e+03 6.07642e+03 1.99079e+04 2.36356e+02 -1.09409e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89017e+03 1.16612e+05 5.98654e+05 -4.13861e+06 9.82397e+03 Potential Pressure (bar) -3.38143e+06 -4.61146e+03 Step Time 6086 6086.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07073e+03 6.07862e+03 1.99079e+04 2.36328e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88941e+03 1.16614e+05 5.98658e+05 -4.13862e+06 9.82399e+03 Potential Pressure (bar) -3.38144e+06 -4.61210e+03 Step Time 6087 6087.00000 Step Time 6088 6088.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06205e+03 6.07619e+03 1.99079e+04 2.36341e+02 -1.09408e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88985e+03 1.16613e+05 5.98660e+05 -4.13862e+06 9.82402e+03 Potential Pressure (bar) -3.38145e+06 -4.61161e+03 Step Time 6089 6089.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07506e+03 6.07950e+03 1.99079e+04 2.36315e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88928e+03 1.16614e+05 5.98675e+05 -4.13866e+06 9.82411e+03 Potential Pressure (bar) -3.38146e+06 -4.61198e+03 Step Time 6090 6090.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06322e+03 6.07613e+03 1.99079e+04 2.36337e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88991e+03 1.16612e+05 5.98678e+05 -4.13866e+06 9.82409e+03 Potential Pressure (bar) -3.38147e+06 -4.61127e+03 Step Time 6091 6091.00000 Step Time 6092 6092.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06494e+03 6.07732e+03 1.99079e+04 2.36321e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88952e+03 1.16613e+05 5.98683e+05 -4.13868e+06 9.82413e+03 Potential Pressure (bar) -3.38147e+06 -4.61158e+03 Step Time 6093 6093.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06488e+03 6.07623e+03 1.99079e+04 2.36336e+02 -1.09408e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88998e+03 1.16612e+05 5.98688e+05 -4.13868e+06 9.82415e+03 Potential Pressure (bar) -3.38148e+06 -4.61111e+03 Step Time 6094 6094.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06778e+03 6.07800e+03 1.99079e+04 2.36313e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88941e+03 1.16613e+05 5.98692e+05 -4.13870e+06 9.82420e+03 Potential Pressure (bar) -3.38148e+06 -4.61155e+03 Step Time 6095 6095.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06843e+03 6.07650e+03 1.99079e+04 2.36335e+02 -1.09408e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89007e+03 1.16612e+05 5.98697e+05 -4.13871e+06 9.82422e+03 Potential Pressure (bar) -3.38149e+06 -4.61091e+03 Step Time 6096 6096.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07346e+03 6.07926e+03 1.99079e+04 2.36301e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88926e+03 1.16614e+05 5.98701e+05 -4.13872e+06 9.82429e+03 Potential Pressure (bar) -3.38149e+06 -4.61160e+03 Step Time 6097 6097.00000 Step Time 6098 6098.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06201e+03 6.07631e+03 1.99079e+04 2.36318e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88973e+03 1.16613e+05 5.98704e+05 -4.13872e+06 9.82422e+03 Potential Pressure (bar) -3.38150e+06 -4.61106e+03 Step Time 6099 6099.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07893e+03 6.08031e+03 1.99079e+04 2.36290e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88911e+03 1.16614e+05 5.98728e+05 -4.13879e+06 9.82436e+03 Potential Pressure (bar) -3.38152e+06 -4.61137e+03 Step Time 6100 6100.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06306e+03 6.07622e+03 1.99080e+04 2.36314e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88979e+03 1.16612e+05 5.98732e+05 -4.13879e+06 9.82434e+03 Potential Pressure (bar) -3.38154e+06 -4.61059e+03 Step Time 6101 6101.00000 Step Time 6102 6102.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06629e+03 6.07775e+03 1.99080e+04 2.36293e+02 -1.09404e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88936e+03 1.16613e+05 5.98736e+05 -4.13881e+06 9.82440e+03 Potential Pressure (bar) -3.38155e+06 -4.61092e+03 Step Time 6103 6103.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06473e+03 6.07629e+03 1.99080e+04 2.36311e+02 -1.09406e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88986e+03 1.16612e+05 5.98740e+05 -4.13881e+06 9.82445e+03 Potential Pressure (bar) -3.38155e+06 -4.61040e+03 Step Time 6104 6104.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06985e+03 6.07858e+03 1.99080e+04 2.36285e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88924e+03 1.16613e+05 5.98746e+05 -4.13883e+06 9.82449e+03 Potential Pressure (bar) -3.38155e+06 -4.61091e+03 Step Time 6105 6105.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06849e+03 6.07658e+03 1.99080e+04 2.36311e+02 -1.09407e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88997e+03 1.16612e+05 5.98750e+05 -4.13883e+06 9.82451e+03 Potential Pressure (bar) -3.38156e+06 -4.61018e+03 Step Time 6106 6106.00000 Step Time 6107 6107.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06250e+03 6.07675e+03 1.99080e+04 2.36293e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88952e+03 1.16613e+05 5.98752e+05 -4.13884e+06 9.82447e+03 Potential Pressure (bar) -3.38157e+06 -4.61050e+03 Step Time 6108 6108.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07223e+03 6.07692e+03 1.99080e+04 2.36302e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.89001e+03 1.16612e+05 5.98769e+05 -4.13888e+06 9.82454e+03 Potential Pressure (bar) -3.38158e+06 -4.60992e+03 Step Time 6109 6109.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06415e+03 6.07726e+03 1.99080e+04 2.36275e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88937e+03 1.16613e+05 5.98772e+05 -4.13888e+06 9.82456e+03 Potential Pressure (bar) -3.38159e+06 -4.61038e+03 Step Time 6110 6110.00000 Step Time 6111 6111.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06390e+03 6.07633e+03 1.99080e+04 2.36289e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88974e+03 1.16612e+05 5.98776e+05 -4.13889e+06 9.82461e+03 Potential Pressure (bar) -3.38160e+06 -4.60999e+03 Step Time 6112 6112.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06601e+03 6.07777e+03 1.99080e+04 2.36269e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88928e+03 1.16613e+05 5.98780e+05 -4.13891e+06 9.82461e+03 Potential Pressure (bar) -3.38160e+06 -4.61034e+03 Step Time 6113 6113.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06614e+03 6.07646e+03 1.99081e+04 2.36287e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88981e+03 1.16612e+05 5.98785e+05 -4.13891e+06 9.82468e+03 Potential Pressure (bar) -3.38161e+06 -4.60979e+03 Step Time 6114 6114.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06976e+03 6.07864e+03 1.99080e+04 2.36260e+02 -1.09402e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88916e+03 1.16613e+05 5.98790e+05 -4.13892e+06 9.82469e+03 Potential Pressure (bar) -3.38161e+06 -4.61031e+03 Step Time 6115 6115.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07093e+03 6.07688e+03 1.99081e+04 2.36287e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88993e+03 1.16612e+05 5.98794e+05 -4.13893e+06 9.82474e+03 Potential Pressure (bar) -3.38161e+06 -4.60956e+03 Step Time 6116 6116.00000 Step Time 6117 6117.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06238e+03 6.07672e+03 1.99081e+04 2.36267e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88945e+03 1.16612e+05 5.98796e+05 -4.13894e+06 9.82476e+03 Potential Pressure (bar) -3.38163e+06 -4.60992e+03 Step Time 6118 6118.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07540e+03 6.07748e+03 1.99081e+04 2.36283e+02 -1.09405e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88994e+03 1.16611e+05 5.98824e+05 -4.13900e+06 9.82494e+03 Potential Pressure (bar) -3.38165e+06 -4.60909e+03 Step Time 6119 6119.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06390e+03 6.07726e+03 1.99081e+04 2.36254e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88926e+03 1.16613e+05 5.98827e+05 -4.13901e+06 9.82493e+03 Potential Pressure (bar) -3.38166e+06 -4.60961e+03 Step Time 6120 6120.00000 Step Time 6121 6121.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06495e+03 6.07651e+03 1.99081e+04 2.36265e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88965e+03 1.16612e+05 5.98832e+05 -4.13902e+06 9.82497e+03 Potential Pressure (bar) -3.38167e+06 -4.60916e+03 Step Time 6122 6122.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06579e+03 6.07777e+03 1.99081e+04 2.36242e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88917e+03 1.16613e+05 5.98836e+05 -4.13903e+06 9.82494e+03 Potential Pressure (bar) -3.38167e+06 -4.60956e+03 Step Time 6123 6123.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06786e+03 6.07673e+03 1.99081e+04 2.36264e+02 -1.09403e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88973e+03 1.16612e+05 5.98840e+05 -4.13904e+06 9.82503e+03 Potential Pressure (bar) -3.38168e+06 -4.60899e+03 Step Time 6124 6124.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06971e+03 6.07869e+03 1.99081e+04 2.36235e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88904e+03 1.16613e+05 5.98844e+05 -4.13905e+06 9.82505e+03 Potential Pressure (bar) -3.38168e+06 -4.60956e+03 Step Time 6125 6125.00000 Step Time 6126 6126.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06233e+03 6.07656e+03 1.99081e+04 2.36247e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88944e+03 1.16612e+05 5.98847e+05 -4.13906e+06 9.82506e+03 Potential Pressure (bar) -3.38169e+06 -4.60910e+03 Step Time 6127 6127.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07346e+03 6.07948e+03 1.99082e+04 2.36224e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88893e+03 1.16613e+05 5.98862e+05 -4.13909e+06 9.82504e+03 Potential Pressure (bar) -3.38170e+06 -4.60943e+03 Step Time 6128 6128.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06338e+03 6.07652e+03 1.99082e+04 2.36241e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88950e+03 1.16612e+05 5.98865e+05 -4.13910e+06 9.82505e+03 Potential Pressure (bar) -3.38171e+06 -4.60876e+03 Step Time 6129 6129.00000 Step Time 6130 6130.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06478e+03 6.07757e+03 1.99082e+04 2.36226e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88914e+03 1.16613e+05 5.98869e+05 -4.13911e+06 9.82513e+03 Potential Pressure (bar) -3.38172e+06 -4.60907e+03 Step Time 6131 6131.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06481e+03 6.07658e+03 1.99082e+04 2.36239e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88956e+03 1.16612e+05 5.98874e+05 -4.13911e+06 9.82516e+03 Potential Pressure (bar) -3.38172e+06 -4.60861e+03 Step Time 6132 6132.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06719e+03 6.07817e+03 1.99082e+04 2.36217e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88904e+03 1.16613e+05 5.98878e+05 -4.13913e+06 9.82519e+03 Potential Pressure (bar) -3.38173e+06 -4.60904e+03 Step Time 6133 6133.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06790e+03 6.07680e+03 1.99082e+04 2.36240e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88964e+03 1.16612e+05 5.98883e+05 -4.13914e+06 9.82522e+03 Potential Pressure (bar) -3.38173e+06 -4.60841e+03 Step Time 6134 6134.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07207e+03 6.07926e+03 1.99082e+04 2.36212e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88890e+03 1.16613e+05 5.98887e+05 -4.13915e+06 9.82525e+03 Potential Pressure (bar) -3.38173e+06 -4.60906e+03 Step Time 6135 6135.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07445e+03 6.07742e+03 1.99082e+04 2.36243e+02 -1.09401e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88978e+03 1.16611e+05 5.98892e+05 -4.13916e+06 9.82530e+03 Potential Pressure (bar) -3.38174e+06 -4.60821e+03 Step Time 6136 6136.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08192e+03 6.08136e+03 1.99082e+04 2.36200e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88871e+03 1.16613e+05 5.98896e+05 -4.13917e+06 9.82531e+03 Potential Pressure (bar) -3.38174e+06 -4.60919e+03 Step Time 6137 6137.00000 Step Time 6138 6138.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06239e+03 6.07668e+03 1.99082e+04 2.36225e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88933e+03 1.16612e+05 5.98899e+05 -4.13918e+06 9.82529e+03 Potential Pressure (bar) -3.38176e+06 -4.60845e+03 Step Time 6139 6139.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.09151e+03 6.08301e+03 1.99082e+04 2.36179e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88852e+03 1.16613e+05 5.98921e+05 -4.13924e+06 9.82539e+03 Potential Pressure (bar) -3.38177e+06 -4.60902e+03 Step Time 6140 6140.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06441e+03 6.07666e+03 1.99082e+04 2.36218e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88943e+03 1.16612e+05 5.98924e+05 -4.13924e+06 9.82541e+03 Potential Pressure (bar) -3.38180e+06 -4.60795e+03 Step Time 6141 6141.00000 Step Time 6142 6142.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06944e+03 6.07874e+03 1.99082e+04 2.36190e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88887e+03 1.16613e+05 5.98929e+05 -4.13926e+06 9.82544e+03 Potential Pressure (bar) -3.38180e+06 -4.60843e+03 Step Time 6143 6143.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06754e+03 6.07688e+03 1.99083e+04 2.36214e+02 -1.09399e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88953e+03 1.16611e+05 5.98933e+05 -4.13926e+06 9.82547e+03 Potential Pressure (bar) -3.38181e+06 -4.60777e+03 Step Time 6144 6144.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07560e+03 6.08008e+03 1.99082e+04 2.36180e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88872e+03 1.16613e+05 5.98938e+05 -4.13928e+06 9.82553e+03 Potential Pressure (bar) -3.38181e+06 -4.60846e+03 Step Time 6145 6145.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07448e+03 6.07753e+03 1.99083e+04 2.36218e+02 -1.09400e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88967e+03 1.16611e+05 5.98942e+05 -4.13928e+06 9.82558e+03 Potential Pressure (bar) -3.38181e+06 -4.60753e+03 Step Time 6146 6146.00000 Step Time 6147 6147.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06301e+03 6.07721e+03 1.99083e+04 2.36194e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88908e+03 1.16612e+05 5.98945e+05 -4.13929e+06 9.82552e+03 Potential Pressure (bar) -3.38183e+06 -4.60797e+03 Step Time 6148 6148.00000 Step Time 6149 6149.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06550e+03 6.07680e+03 1.99083e+04 2.36203e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88941e+03 1.16611e+05 5.98953e+05 -4.13931e+06 9.82553e+03 Potential Pressure (bar) -3.38183e+06 -4.60756e+03 Step Time 6150 6150.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06413e+03 6.07755e+03 1.99083e+04 2.36184e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88899e+03 1.16612e+05 5.98956e+05 -4.13932e+06 9.82568e+03 Potential Pressure (bar) -3.38184e+06 -4.60785e+03 Step Time 6151 6151.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06806e+03 6.07700e+03 1.99083e+04 2.36200e+02 -1.09398e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88948e+03 1.16611e+05 5.98963e+05 -4.13933e+06 9.82564e+03 Potential Pressure (bar) -3.38184e+06 -4.60736e+03 Step Time 6152 6152.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06661e+03 6.07819e+03 1.99083e+04 2.36178e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88887e+03 1.16612e+05 5.98966e+05 -4.13934e+06 9.82568e+03 Potential Pressure (bar) -3.38185e+06 -4.60785e+03 Step Time 6153 6153.00000 Step Time 6154 6154.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06278e+03 6.07676e+03 1.99083e+04 2.36190e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88922e+03 1.16612e+05 5.98969e+05 -4.13934e+06 9.82566e+03 Potential Pressure (bar) -3.38186e+06 -4.60747e+03 Step Time 6155 6155.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06905e+03 6.07875e+03 1.99083e+04 2.36166e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88878e+03 1.16612e+05 5.98977e+05 -4.13936e+06 9.82577e+03 Potential Pressure (bar) -3.38186e+06 -4.60778e+03 Step Time 6156 6156.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06397e+03 6.07676e+03 1.99083e+04 2.36186e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88929e+03 1.16611e+05 5.98980e+05 -4.13937e+06 9.82570e+03 Potential Pressure (bar) -3.38187e+06 -4.60724e+03 Step Time 6157 6157.00000 Step Time 6158 6158.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06352e+03 6.07743e+03 1.99083e+04 2.36171e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88897e+03 1.16612e+05 5.98983e+05 -4.13937e+06 9.82569e+03 Potential Pressure (bar) -3.38187e+06 -4.60745e+03 Step Time 6159 6159.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06536e+03 6.07682e+03 1.99083e+04 2.36185e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88933e+03 1.16611e+05 5.98990e+05 -4.13938e+06 9.82574e+03 Potential Pressure (bar) -3.38188e+06 -4.60706e+03 Step Time 6160 6160.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06500e+03 6.07785e+03 1.99083e+04 2.36164e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88887e+03 1.16612e+05 5.98993e+05 -4.13940e+06 9.82579e+03 Potential Pressure (bar) -3.38188e+06 -4.60741e+03 Step Time 6161 6161.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06809e+03 6.07705e+03 1.99083e+04 2.36184e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88940e+03 1.16611e+05 5.98999e+05 -4.13941e+06 9.82581e+03 Potential Pressure (bar) -3.38189e+06 -4.60685e+03 Step Time 6162 6162.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06814e+03 6.07862e+03 1.99083e+04 2.36158e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88875e+03 1.16612e+05 5.99003e+05 -4.13942e+06 9.82585e+03 Potential Pressure (bar) -3.38189e+06 -4.60741e+03 Step Time 6163 6163.00000 Step Time 6164 6164.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06268e+03 6.07686e+03 1.99083e+04 2.36173e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88912e+03 1.16612e+05 5.99005e+05 -4.13942e+06 9.82585e+03 Potential Pressure (bar) -3.38190e+06 -4.60699e+03 Step Time 6165 6165.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07123e+03 6.07929e+03 1.99084e+04 2.36144e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88865e+03 1.16613e+05 5.99016e+05 -4.13945e+06 9.82595e+03 Potential Pressure (bar) -3.38191e+06 -4.60732e+03 Step Time 6166 6166.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06382e+03 6.07683e+03 1.99084e+04 2.36163e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88919e+03 1.16611e+05 5.99019e+05 -4.13946e+06 9.82594e+03 Potential Pressure (bar) -3.38192e+06 -4.60670e+03 Step Time 6167 6167.00000 Step Time 6168 6168.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06422e+03 6.07769e+03 1.99084e+04 2.36149e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88885e+03 1.16612e+05 5.99022e+05 -4.13947e+06 9.82593e+03 Potential Pressure (bar) -3.38192e+06 -4.60696e+03 Step Time 6169 6169.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06523e+03 6.07690e+03 1.99084e+04 2.36162e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88924e+03 1.16611e+05 5.99028e+05 -4.13948e+06 9.82603e+03 Potential Pressure (bar) -3.38193e+06 -4.60655e+03 Step Time 6170 6170.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06612e+03 6.07821e+03 1.99084e+04 2.36141e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88875e+03 1.16612e+05 5.99031e+05 -4.13949e+06 9.82599e+03 Potential Pressure (bar) -3.38193e+06 -4.60694e+03 Step Time 6171 6171.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06809e+03 6.07712e+03 1.99084e+04 2.36162e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88933e+03 1.16611e+05 5.99037e+05 -4.13949e+06 9.82606e+03 Potential Pressure (bar) -3.38194e+06 -4.60635e+03 Step Time 6172 6172.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07006e+03 6.07914e+03 1.99084e+04 2.36133e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88862e+03 1.16612e+05 5.99041e+05 -4.13951e+06 9.82609e+03 Potential Pressure (bar) -3.38194e+06 -4.60693e+03 Step Time 6173 6173.00000 Step Time 6174 6174.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06263e+03 6.07697e+03 1.99084e+04 2.36148e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88903e+03 1.16612e+05 5.99043e+05 -4.13951e+06 9.82611e+03 Potential Pressure (bar) -3.38195e+06 -4.60650e+03 Step Time 6175 6175.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07383e+03 6.07994e+03 1.99084e+04 2.36119e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88851e+03 1.16612e+05 5.99057e+05 -4.13955e+06 9.82617e+03 Potential Pressure (bar) -3.38196e+06 -4.60682e+03 Step Time 6176 6176.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06365e+03 6.07692e+03 1.99084e+04 2.36140e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88910e+03 1.16611e+05 5.99060e+05 -4.13955e+06 9.82616e+03 Potential Pressure (bar) -3.38197e+06 -4.60618e+03 Step Time 6177 6177.00000 Step Time 6178 6178.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06511e+03 6.07801e+03 1.99084e+04 2.36124e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88873e+03 1.16612e+05 5.99064e+05 -4.13956e+06 9.82618e+03 Potential Pressure (bar) -3.38197e+06 -4.60645e+03 Step Time 6179 6179.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06509e+03 6.07695e+03 1.99085e+04 2.36141e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88915e+03 1.16611e+05 5.99069e+05 -4.13957e+06 9.82626e+03 Potential Pressure (bar) -3.38198e+06 -4.60599e+03 Step Time 6180 6180.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06753e+03 6.07864e+03 1.99084e+04 2.36119e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88862e+03 1.16612e+05 5.99073e+05 -4.13958e+06 9.82628e+03 Potential Pressure (bar) -3.38199e+06 -4.60644e+03 Step Time 6181 6181.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06814e+03 6.07717e+03 1.99085e+04 2.36142e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88924e+03 1.16611e+05 5.99078e+05 -4.13959e+06 9.82630e+03 Potential Pressure (bar) -3.38199e+06 -4.60580e+03 Step Time 6182 6182.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07242e+03 6.07974e+03 1.99084e+04 2.36110e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88849e+03 1.16612e+05 5.99082e+05 -4.13960e+06 9.82632e+03 Potential Pressure (bar) -3.38199e+06 -4.60642e+03 Step Time 6183 6183.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07464e+03 6.07777e+03 1.99085e+04 2.36142e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88938e+03 1.16611e+05 5.99087e+05 -4.13961e+06 9.82638e+03 Potential Pressure (bar) -3.38199e+06 -4.60559e+03 Step Time 6184 6184.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08229e+03 6.08184e+03 1.99084e+04 2.36098e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88830e+03 1.16613e+05 5.99090e+05 -4.13963e+06 9.82642e+03 Potential Pressure (bar) -3.38199e+06 -4.60655e+03 Step Time 6185 6185.00000 Step Time 6186 6186.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06268e+03 6.07710e+03 1.99085e+04 2.36120e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88893e+03 1.16611e+05 5.99093e+05 -4.13963e+06 9.82633e+03 Potential Pressure (bar) -3.38202e+06 -4.60579e+03 Step Time 6187 6187.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.09189e+03 6.08340e+03 1.99085e+04 2.36087e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88812e+03 1.16613e+05 5.99116e+05 -4.13969e+06 9.82649e+03 Potential Pressure (bar) -3.38202e+06 -4.60637e+03 Step Time 6188 6188.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06469e+03 6.07704e+03 1.99085e+04 2.36115e+02 -1.09390e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88902e+03 1.16611e+05 5.99120e+05 -4.13969e+06 9.82648e+03 Potential Pressure (bar) -3.38205e+06 -4.60534e+03 Step Time 6189 6189.00000 Step Time 6190 6190.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06980e+03 6.07918e+03 1.99085e+04 2.36090e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88846e+03 1.16612e+05 5.99124e+05 -4.13971e+06 9.82650e+03 Potential Pressure (bar) -3.38206e+06 -4.60579e+03 Step Time 6191 6191.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06778e+03 6.07725e+03 1.99085e+04 2.36116e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88912e+03 1.16611e+05 5.99129e+05 -4.13971e+06 9.82661e+03 Potential Pressure (bar) -3.38206e+06 -4.60516e+03 Step Time 6192 6192.00000 Step Time 6193 6193.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06315e+03 6.07753e+03 1.99085e+04 2.36096e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88871e+03 1.16612e+05 5.99131e+05 -4.13972e+06 9.82655e+03 Potential Pressure (bar) -3.38207e+06 -4.60539e+03 Step Time 6194 6194.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07087e+03 6.07758e+03 1.99086e+04 2.36105e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88918e+03 1.16611e+05 5.99144e+05 -4.13975e+06 9.82664e+03 Potential Pressure (bar) -3.38208e+06 -4.60488e+03 Step Time 6195 6195.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06467e+03 6.07802e+03 1.99085e+04 2.36080e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88858e+03 1.16612e+05 5.99147e+05 -4.13976e+06 9.82660e+03 Potential Pressure (bar) -3.38209e+06 -4.60530e+03 Step Time 6196 6196.00000 Step Time 6197 6197.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06402e+03 6.07710e+03 1.99086e+04 2.36093e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88892e+03 1.16611e+05 5.99151e+05 -4.13976e+06 9.82670e+03 Potential Pressure (bar) -3.38209e+06 -4.60496e+03 Step Time 6198 6198.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06637e+03 6.07846e+03 1.99086e+04 2.36073e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88850e+03 1.16612e+05 5.99155e+05 -4.13978e+06 9.82664e+03 Potential Pressure (bar) -3.38210e+06 -4.60526e+03 Step Time 6199 6199.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06583e+03 6.07719e+03 1.99086e+04 2.36091e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88899e+03 1.16611e+05 5.99160e+05 -4.13978e+06 9.82673e+03 Potential Pressure (bar) -3.38210e+06 -4.60478e+03 Step Time 6200 6200.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06971e+03 6.07926e+03 1.99086e+04 2.36066e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88839e+03 1.16612e+05 5.99164e+05 -4.13980e+06 9.82670e+03 Potential Pressure (bar) -3.38210e+06 -4.60528e+03 Step Time 6201 6201.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06979e+03 6.07750e+03 1.99086e+04 2.36092e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88910e+03 1.16611e+05 5.99169e+05 -4.13980e+06 9.82679e+03 Potential Pressure (bar) -3.38211e+06 -4.60455e+03 Step Time 6202 6202.00000 Step Time 6203 6203.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06299e+03 6.07753e+03 1.99086e+04 2.36074e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88865e+03 1.16611e+05 5.99171e+05 -4.13981e+06 9.82676e+03 Potential Pressure (bar) -3.38212e+06 -4.60485e+03 Step Time 6204 6204.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07366e+03 6.07785e+03 1.99086e+04 2.36090e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88914e+03 1.16610e+05 5.99192e+05 -4.13985e+06 9.82690e+03 Potential Pressure (bar) -3.38213e+06 -4.60419e+03 Step Time 6205 6205.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06445e+03 6.07803e+03 1.99086e+04 2.36061e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88850e+03 1.16612e+05 5.99194e+05 -4.13986e+06 9.82688e+03 Potential Pressure (bar) -3.38215e+06 -4.60467e+03 Step Time 6206 6206.00000 Step Time 6207 6207.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06488e+03 6.07720e+03 1.99086e+04 2.36073e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88887e+03 1.16611e+05 5.99199e+05 -4.13988e+06 9.82687e+03 Potential Pressure (bar) -3.38216e+06 -4.60426e+03 Step Time 6208 6208.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06615e+03 6.07850e+03 1.99086e+04 2.36051e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88841e+03 1.16612e+05 5.99203e+05 -4.13989e+06 9.82694e+03 Potential Pressure (bar) -3.38216e+06 -4.60462e+03 Step Time 6209 6209.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06728e+03 6.07737e+03 1.99087e+04 2.36072e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88895e+03 1.16611e+05 5.99208e+05 -4.13989e+06 9.82693e+03 Potential Pressure (bar) -3.38216e+06 -4.60407e+03 Step Time 6210 6210.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06964e+03 6.07934e+03 1.99086e+04 2.36044e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88829e+03 1.16612e+05 5.99212e+05 -4.13991e+06 9.82698e+03 Potential Pressure (bar) -3.38217e+06 -4.60462e+03 Step Time 6211 6211.00000 Step Time 6212 6212.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06283e+03 6.07734e+03 1.99086e+04 2.36057e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88867e+03 1.16611e+05 5.99214e+05 -4.13991e+06 9.82697e+03 Potential Pressure (bar) -3.38218e+06 -4.60417e+03 Step Time 6213 6213.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07299e+03 6.08006e+03 1.99086e+04 2.36029e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88818e+03 1.16612e+05 5.99230e+05 -4.13995e+06 9.82710e+03 Potential Pressure (bar) -3.38219e+06 -4.60445e+03 Step Time 6214 6214.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06363e+03 6.07724e+03 1.99087e+04 2.36046e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88872e+03 1.16611e+05 5.99233e+05 -4.13995e+06 9.82713e+03 Potential Pressure (bar) -3.38220e+06 -4.60386e+03 Step Time 6215 6215.00000 Step Time 6216 6216.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06523e+03 6.07834e+03 1.99087e+04 2.36030e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88838e+03 1.16611e+05 5.99237e+05 -4.13996e+06 9.82712e+03 Potential Pressure (bar) -3.38220e+06 -4.60412e+03 Step Time 6217 6217.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06479e+03 6.07727e+03 1.99087e+04 2.36043e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88877e+03 1.16611e+05 5.99242e+05 -4.13997e+06 9.82715e+03 Potential Pressure (bar) -3.38221e+06 -4.60366e+03 Step Time 6218 6218.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06741e+03 6.07891e+03 1.99087e+04 2.36021e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88828e+03 1.16612e+05 5.99246e+05 -4.13998e+06 9.82719e+03 Potential Pressure (bar) -3.38221e+06 -4.60407e+03 Step Time 6219 6219.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06731e+03 6.07742e+03 1.99087e+04 2.36042e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88885e+03 1.16611e+05 5.99250e+05 -4.13999e+06 9.82718e+03 Potential Pressure (bar) -3.38222e+06 -4.60348e+03 Step Time 6220 6220.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07174e+03 6.07991e+03 1.99087e+04 2.36014e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88815e+03 1.16612e+05 5.99254e+05 -4.14001e+06 9.82718e+03 Potential Pressure (bar) -3.38222e+06 -4.60406e+03 Step Time 6221 6221.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07273e+03 6.07789e+03 1.99087e+04 2.36046e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88898e+03 1.16610e+05 5.99259e+05 -4.14001e+06 9.82725e+03 Potential Pressure (bar) -3.38223e+06 -4.60328e+03 Step Time 6222 6222.00000 Step Time 6223 6223.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06315e+03 6.07773e+03 1.99087e+04 2.36026e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88846e+03 1.16611e+05 5.99261e+05 -4.14002e+06 9.82724e+03 Potential Pressure (bar) -3.38224e+06 -4.60365e+03 Step Time 6224 6224.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07791e+03 6.07846e+03 1.99087e+04 2.36033e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88907e+03 1.16610e+05 5.99285e+05 -4.14007e+06 9.82738e+03 Potential Pressure (bar) -3.38226e+06 -4.60285e+03 Step Time 6225 6225.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06491e+03 6.07834e+03 1.99087e+04 2.36003e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88830e+03 1.16611e+05 5.99287e+05 -4.14008e+06 9.82739e+03 Potential Pressure (bar) -3.38228e+06 -4.60339e+03 Step Time 6226 6226.00000 Step Time 6227 6227.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06600e+03 6.07742e+03 1.99087e+04 2.36020e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88871e+03 1.16611e+05 5.99292e+05 -4.14009e+06 9.82742e+03 Potential Pressure (bar) -3.38228e+06 -4.60293e+03 Step Time 6228 6228.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06710e+03 6.07892e+03 1.99087e+04 2.36001e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88819e+03 1.16611e+05 5.99296e+05 -4.14010e+06 9.82745e+03 Potential Pressure (bar) -3.38228e+06 -4.60337e+03 Step Time 6229 6229.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06929e+03 6.07768e+03 1.99088e+04 2.36019e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88881e+03 1.16610e+05 5.99301e+05 -4.14011e+06 9.82747e+03 Potential Pressure (bar) -3.38229e+06 -4.60275e+03 Step Time 6230 6230.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07163e+03 6.07997e+03 1.99087e+04 2.35992e+02 -1.09378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88805e+03 1.16612e+05 5.99305e+05 -4.14012e+06 9.82752e+03 Potential Pressure (bar) -3.38229e+06 -4.60340e+03 Step Time 6231 6231.00000 Step Time 6232 6232.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06304e+03 6.07751e+03 1.99088e+04 2.36005e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88849e+03 1.16611e+05 5.99307e+05 -4.14013e+06 9.82751e+03 Potential Pressure (bar) -3.38230e+06 -4.60290e+03 Step Time 6233 6233.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07594e+03 6.08082e+03 1.99088e+04 2.35974e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88793e+03 1.16612e+05 5.99322e+05 -4.14016e+06 9.82762e+03 Potential Pressure (bar) -3.38231e+06 -4.60327e+03 Step Time 6234 6234.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06420e+03 6.07743e+03 1.99088e+04 2.36001e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88856e+03 1.16611e+05 5.99325e+05 -4.14016e+06 9.82760e+03 Potential Pressure (bar) -3.38232e+06 -4.60256e+03 Step Time 6235 6235.00000 Step Time 6236 6236.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06592e+03 6.07865e+03 1.99088e+04 2.35983e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88817e+03 1.16611e+05 5.99329e+05 -4.14018e+06 9.82762e+03 Potential Pressure (bar) -3.38233e+06 -4.60287e+03 Step Time 6237 6237.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06582e+03 6.07750e+03 1.99088e+04 2.35996e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88862e+03 1.16610e+05 5.99333e+05 -4.14018e+06 9.82762e+03 Potential Pressure (bar) -3.38233e+06 -4.60241e+03 Step Time 6238 6238.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06871e+03 6.07935e+03 1.99088e+04 2.35973e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88806e+03 1.16611e+05 5.99337e+05 -4.14020e+06 9.82771e+03 Potential Pressure (bar) -3.38233e+06 -4.60287e+03 Step Time 6239 6239.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06929e+03 6.07776e+03 1.99088e+04 2.35998e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88872e+03 1.16610e+05 5.99342e+05 -4.14020e+06 9.82773e+03 Potential Pressure (bar) -3.38234e+06 -4.60219e+03 Step Time 6240 6240.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07433e+03 6.08060e+03 1.99088e+04 2.35965e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88792e+03 1.16612e+05 5.99346e+05 -4.14022e+06 9.82770e+03 Potential Pressure (bar) -3.38234e+06 -4.60292e+03 Step Time 6241 6241.00000 Step Time 6242 6242.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06302e+03 6.07764e+03 1.99088e+04 2.35982e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88838e+03 1.16611e+05 5.99348e+05 -4.14022e+06 9.82773e+03 Potential Pressure (bar) -3.38235e+06 -4.60238e+03 Step Time 6243 6243.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07964e+03 6.08166e+03 1.99088e+04 2.35944e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88779e+03 1.16612e+05 5.99372e+05 -4.14028e+06 9.82792e+03 Potential Pressure (bar) -3.38237e+06 -4.60266e+03 Step Time 6244 6244.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06401e+03 6.07753e+03 1.99088e+04 2.35970e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88845e+03 1.16611e+05 5.99374e+05 -4.14028e+06 9.82789e+03 Potential Pressure (bar) -3.38238e+06 -4.60190e+03 Step Time 6245 6245.00000 Step Time 6246 6246.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06724e+03 6.07906e+03 1.99088e+04 2.35957e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88802e+03 1.16611e+05 5.99379e+05 -4.14029e+06 9.82792e+03 Potential Pressure (bar) -3.38239e+06 -4.60225e+03 Step Time 6247 6247.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06567e+03 6.07758e+03 1.99089e+04 2.35973e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88852e+03 1.16610e+05 5.99383e+05 -4.14030e+06 9.82790e+03 Potential Pressure (bar) -3.38240e+06 -4.60174e+03 Step Time 6248 6248.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07074e+03 6.07989e+03 1.99088e+04 2.35946e+02 -1.09373e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88791e+03 1.16611e+05 5.99388e+05 -4.14032e+06 9.82795e+03 Potential Pressure (bar) -3.38240e+06 -4.60226e+03 Step Time 6249 6249.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06936e+03 6.07785e+03 1.99089e+04 2.35972e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88862e+03 1.16610e+05 5.99392e+05 -4.14032e+06 9.82796e+03 Potential Pressure (bar) -3.38240e+06 -4.60153e+03 Step Time 6250 6250.00000 Step Time 6251 6251.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06350e+03 6.07805e+03 1.99088e+04 2.35955e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88819e+03 1.16611e+05 5.99394e+05 -4.14033e+06 9.82796e+03 Potential Pressure (bar) -3.38242e+06 -4.60186e+03 Step Time 6252 6252.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07300e+03 6.07825e+03 1.99089e+04 2.35967e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88867e+03 1.16610e+05 5.99408e+05 -4.14036e+06 9.82812e+03 Potential Pressure (bar) -3.38242e+06 -4.60125e+03 Step Time 6253 6253.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06511e+03 6.07859e+03 1.99089e+04 2.35940e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88804e+03 1.16611e+05 5.99411e+05 -4.14037e+06 9.82810e+03 Potential Pressure (bar) -3.38244e+06 -4.60170e+03 Step Time 6254 6254.00000 Step Time 6255 6255.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06484e+03 6.07764e+03 1.99089e+04 2.35950e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88841e+03 1.16610e+05 5.99415e+05 -4.14038e+06 9.82810e+03 Potential Pressure (bar) -3.38244e+06 -4.60133e+03 Step Time 6256 6256.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06697e+03 6.07908e+03 1.99089e+04 2.35928e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88796e+03 1.16611e+05 5.99419e+05 -4.14039e+06 9.82817e+03 Potential Pressure (bar) -3.38245e+06 -4.60168e+03 Step Time 6257 6257.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06699e+03 6.07778e+03 1.99089e+04 2.35952e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88849e+03 1.16610e+05 5.99424e+05 -4.14040e+06 9.82821e+03 Potential Pressure (bar) -3.38245e+06 -4.60114e+03 Step Time 6258 6258.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07067e+03 6.07994e+03 1.99089e+04 2.35922e+02 -1.09370e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88784e+03 1.16611e+05 5.99428e+05 -4.14041e+06 9.82818e+03 Potential Pressure (bar) -3.38245e+06 -4.60167e+03 Step Time 6259 6259.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07169e+03 6.07819e+03 1.99089e+04 2.35953e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88860e+03 1.16610e+05 5.99432e+05 -4.14042e+06 9.82819e+03 Potential Pressure (bar) -3.38246e+06 -4.60093e+03 Step Time 6260 6260.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07810e+03 6.08154e+03 1.99089e+04 2.35910e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88767e+03 1.16611e+05 5.99436e+05 -4.14043e+06 9.82823e+03 Potential Pressure (bar) -3.38246e+06 -4.60174e+03 Step Time 6261 6261.00000 Step Time 6262 6262.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06317e+03 6.07781e+03 1.99089e+04 2.35931e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88821e+03 1.16610e+05 5.99438e+05 -4.14043e+06 9.82823e+03 Potential Pressure (bar) -3.38248e+06 -4.60114e+03 Step Time 6263 6263.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08517e+03 6.08288e+03 1.99089e+04 2.35896e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88752e+03 1.16612e+05 5.99462e+05 -4.14049e+06 9.82835e+03 Potential Pressure (bar) -3.38248e+06 -4.60152e+03 Step Time 6264 6264.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06452e+03 6.07776e+03 1.99090e+04 2.35926e+02 -1.09372e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88829e+03 1.16610e+05 5.99465e+05 -4.14049e+06 9.82842e+03 Potential Pressure (bar) -3.38251e+06 -4.60069e+03 Step Time 6265 6265.00000 Step Time 6266 6266.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06870e+03 6.07952e+03 1.99089e+04 2.35900e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88781e+03 1.16611e+05 5.99470e+05 -4.14051e+06 9.82839e+03 Potential Pressure (bar) -3.38251e+06 -4.60105e+03 Step Time 6267 6267.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06676e+03 6.07786e+03 1.99090e+04 2.35923e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88837e+03 1.16610e+05 5.99474e+05 -4.14051e+06 9.82842e+03 Potential Pressure (bar) -3.38252e+06 -4.60046e+03 Step Time 6268 6268.00000 Step Time 6269 6269.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06361e+03 6.07822e+03 1.99090e+04 2.35907e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88802e+03 1.16611e+05 5.99476e+05 -4.14052e+06 9.82842e+03 Potential Pressure (bar) -3.38252e+06 -4.60072e+03 Step Time 6270 6270.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06899e+03 6.07802e+03 1.99090e+04 2.35919e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88843e+03 1.16610e+05 5.99489e+05 -4.14054e+06 9.82855e+03 Potential Pressure (bar) -3.38253e+06 -4.60024e+03 Step Time 6271 6271.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06479e+03 6.07863e+03 1.99090e+04 2.35896e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88792e+03 1.16611e+05 5.99491e+05 -4.14055e+06 9.82849e+03 Potential Pressure (bar) -3.38254e+06 -4.60059e+03 Step Time 6272 6272.00000 Step Time 6273 6273.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06408e+03 6.07781e+03 1.99090e+04 2.35906e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88820e+03 1.16610e+05 5.99495e+05 -4.14056e+06 9.82852e+03 Potential Pressure (bar) -3.38255e+06 -4.60028e+03 Step Time 6274 6274.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06610e+03 6.07899e+03 1.99090e+04 2.35886e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88784e+03 1.16611e+05 5.99499e+05 -4.14057e+06 9.82850e+03 Potential Pressure (bar) -3.38255e+06 -4.60053e+03 Step Time 6275 6275.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06538e+03 6.07783e+03 1.99090e+04 2.35902e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88826e+03 1.16610e+05 5.99504e+05 -4.14058e+06 9.82857e+03 Potential Pressure (bar) -3.38256e+06 -4.60011e+03 Step Time 6276 6276.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06864e+03 6.07963e+03 1.99090e+04 2.35879e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88774e+03 1.16611e+05 5.99508e+05 -4.14059e+06 9.82858e+03 Potential Pressure (bar) -3.38256e+06 -4.60053e+03 Step Time 6277 6277.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06823e+03 6.07802e+03 1.99090e+04 2.35903e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88834e+03 1.16610e+05 5.99512e+05 -4.14060e+06 9.82857e+03 Potential Pressure (bar) -3.38256e+06 -4.59993e+03 Step Time 6278 6278.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07365e+03 6.08076e+03 1.99090e+04 2.35872e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88760e+03 1.16611e+05 5.99516e+05 -4.14061e+06 9.82860e+03 Potential Pressure (bar) -3.38256e+06 -4.60056e+03 Step Time 6279 6279.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07438e+03 6.07858e+03 1.99090e+04 2.35905e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88848e+03 1.16609e+05 5.99520e+05 -4.14062e+06 9.82868e+03 Potential Pressure (bar) -3.38256e+06 -4.59971e+03 Step Time 6280 6280.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08370e+03 6.08286e+03 1.99090e+04 2.35860e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88741e+03 1.16611e+05 5.99524e+05 -4.14063e+06 9.82869e+03 Potential Pressure (bar) -3.38256e+06 -4.60067e+03 Step Time 6281 6281.00000 Step Time 6282 6282.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06329e+03 6.07800e+03 1.99090e+04 2.35886e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88804e+03 1.16610e+05 5.99526e+05 -4.14063e+06 9.82866e+03 Potential Pressure (bar) -3.38259e+06 -4.59994e+03 Step Time 6283 6283.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.09335e+03 6.08450e+03 1.99091e+04 2.35830e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88724e+03 1.16611e+05 5.99556e+05 -4.14071e+06 9.82882e+03 Potential Pressure (bar) -3.38259e+06 -4.60038e+03 Step Time 6284 6284.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06500e+03 6.07789e+03 1.99091e+04 2.35869e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88813e+03 1.16610e+05 5.99559e+05 -4.14071e+06 9.82882e+03 Potential Pressure (bar) -3.38263e+06 -4.59937e+03 Step Time 6285 6285.00000 Step Time 6286 6286.00000 Step Time 6287 6287.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06386e+03 6.07839e+03 1.99091e+04 2.35857e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88784e+03 1.16610e+05 5.99561e+05 -4.14071e+06 9.82880e+03 Potential Pressure (bar) -3.38263e+06 -4.59958e+03 Step Time 6288 6288.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06629e+03 6.07801e+03 1.99091e+04 2.35866e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88817e+03 1.16610e+05 5.99569e+05 -4.14073e+06 9.82890e+03 Potential Pressure (bar) -3.38264e+06 -4.59919e+03 Step Time 6289 6289.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06481e+03 6.07875e+03 1.99091e+04 2.35850e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88776e+03 1.16610e+05 5.99572e+05 -4.14074e+06 9.82888e+03 Potential Pressure (bar) -3.38265e+06 -4.59947e+03 Step Time 6290 6290.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06874e+03 6.07819e+03 1.99091e+04 2.35867e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88822e+03 1.16610e+05 5.99578e+05 -4.14075e+06 9.82898e+03 Potential Pressure (bar) -3.38265e+06 -4.59902e+03 Step Time 6291 6291.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06699e+03 6.07935e+03 1.99091e+04 2.35842e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88765e+03 1.16611e+05 5.99581e+05 -4.14076e+06 9.82899e+03 Potential Pressure (bar) -3.38266e+06 -4.59945e+03 Step Time 6292 6292.00000 Step Time 6293 6293.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06372e+03 6.07802e+03 1.99091e+04 2.35853e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88798e+03 1.16610e+05 5.99584e+05 -4.14077e+06 9.82898e+03 Potential Pressure (bar) -3.38266e+06 -4.59910e+03 Step Time 6294 6294.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06925e+03 6.07987e+03 1.99091e+04 2.35834e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88756e+03 1.16611e+05 5.99591e+05 -4.14078e+06 9.82903e+03 Potential Pressure (bar) -3.38267e+06 -4.59937e+03 Step Time 6295 6295.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06488e+03 6.07801e+03 1.99091e+04 2.35849e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88804e+03 1.16610e+05 5.99594e+05 -4.14079e+06 9.82905e+03 Potential Pressure (bar) -3.38267e+06 -4.59888e+03 Step Time 6296 6296.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07329e+03 6.08078e+03 1.99091e+04 2.35819e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88745e+03 1.16611e+05 5.99600e+05 -4.14081e+06 9.82909e+03 Potential Pressure (bar) -3.38268e+06 -4.59936e+03 Step Time 6297 6297.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06786e+03 6.07818e+03 1.99091e+04 2.35847e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88815e+03 1.16609e+05 5.99604e+05 -4.14081e+06 9.82913e+03 Potential Pressure (bar) -3.38268e+06 -4.59868e+03 Step Time 6298 6298.00000 Step Time 6299 6299.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06445e+03 6.07872e+03 1.99091e+04 2.35828e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88772e+03 1.16610e+05 5.99605e+05 -4.14082e+06 9.82908e+03 Potential Pressure (bar) -3.38269e+06 -4.59900e+03 Step Time 6300 6300.00000 Step Time 6301 6301.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06411e+03 6.07803e+03 1.99091e+04 2.35836e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88796e+03 1.16610e+05 5.99610e+05 -4.14082e+06 9.82911e+03 Potential Pressure (bar) -3.38270e+06 -4.59870e+03 Step Time 6302 6302.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06541e+03 6.07898e+03 1.99091e+04 2.35822e+02 -1.09360e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88765e+03 1.16610e+05 5.99614e+05 -4.14084e+06 9.82915e+03 Potential Pressure (bar) -3.38270e+06 -4.59893e+03 Step Time 6303 6303.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06511e+03 6.07805e+03 1.99091e+04 2.35834e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88801e+03 1.16610e+05 5.99619e+05 -4.14084e+06 9.82916e+03 Potential Pressure (bar) -3.38270e+06 -4.59855e+03 Step Time 6304 6304.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06726e+03 6.07948e+03 1.99091e+04 2.35818e+02 -1.09359e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88756e+03 1.16610e+05 5.99623e+05 -4.14086e+06 9.82918e+03 Potential Pressure (bar) -3.38271e+06 -4.59889e+03 Step Time 6305 6305.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06728e+03 6.07818e+03 1.99092e+04 2.35835e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88808e+03 1.16609e+05 5.99627e+05 -4.14086e+06 9.82918e+03 Potential Pressure (bar) -3.38271e+06 -4.59837e+03 Step Time 6306 6306.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07096e+03 6.08035e+03 1.99091e+04 2.35809e+02 -1.09358e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88744e+03 1.16611e+05 5.99631e+05 -4.14088e+06 9.82923e+03 Potential Pressure (bar) -3.38272e+06 -4.59890e+03 Step Time 6307 6307.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07196e+03 6.07856e+03 1.99092e+04 2.35833e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88820e+03 1.16609e+05 5.99635e+05 -4.14088e+06 9.82930e+03 Potential Pressure (bar) -3.38272e+06 -4.59820e+03 Step Time 6308 6308.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07838e+03 6.08198e+03 1.99091e+04 2.35800e+02 -1.09357e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88728e+03 1.16611e+05 5.99638e+05 -4.14090e+06 9.82925e+03 Potential Pressure (bar) -3.38272e+06 -4.59898e+03 Step Time 6309 6309.00000 Step Time 6310 6310.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06347e+03 6.07822e+03 1.99092e+04 2.35820e+02 -1.09359e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88781e+03 1.16610e+05 5.99640e+05 -4.14090e+06 9.82926e+03 Potential Pressure (bar) -3.38274e+06 -4.59837e+03 Step Time 6311 6311.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08547e+03 6.08328e+03 1.99092e+04 2.35778e+02 -1.09355e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88709e+03 1.16611e+05 5.99665e+05 -4.14096e+06 9.82945e+03 Potential Pressure (bar) -3.38275e+06 -4.59875e+03 Step Time 6312 6312.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06484e+03 6.07813e+03 1.99092e+04 2.35809e+02 -1.09358e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88788e+03 1.16610e+05 5.99667e+05 -4.14096e+06 9.82944e+03 Potential Pressure (bar) -3.38277e+06 -4.59791e+03 Step Time 6313 6313.00000 Step Time 6314 6314.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06899e+03 6.07995e+03 1.99092e+04 2.35784e+02 -1.09356e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88740e+03 1.16610e+05 5.99672e+05 -4.14097e+06 9.82943e+03 Potential Pressure (bar) -3.38277e+06 -4.59826e+03 Step Time 6315 6315.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06703e+03 6.07824e+03 1.99092e+04 2.35806e+02 -1.09358e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88797e+03 1.16609e+05 5.99676e+05 -4.14098e+06 9.82948e+03 Potential Pressure (bar) -3.38278e+06 -4.59769e+03 Step Time 6316 6316.00000 Step Time 6317 6317.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06391e+03 6.07864e+03 1.99092e+04 2.35791e+02 -1.09357e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88761e+03 1.16610e+05 5.99678e+05 -4.14098e+06 9.82949e+03 Potential Pressure (bar) -3.38279e+06 -4.59796e+03 Step Time 6318 6318.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06927e+03 6.07837e+03 1.99092e+04 2.35804e+02 -1.09358e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88804e+03 1.16609e+05 5.99690e+05 -4.14101e+06 9.82958e+03 Potential Pressure (bar) -3.38279e+06 -4.59747e+03 Step Time 6319 6319.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06509e+03 6.07905e+03 1.99092e+04 2.35782e+02 -1.09355e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88751e+03 1.16610e+05 5.99692e+05 -4.14102e+06 9.82953e+03 Potential Pressure (bar) -3.38280e+06 -4.59784e+03 Step Time 6320 6320.00000 Step Time 6321 6321.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06439e+03 6.07818e+03 1.99092e+04 2.35793e+02 -1.09356e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88780e+03 1.16609e+05 5.99696e+05 -4.14103e+06 9.82957e+03 Potential Pressure (bar) -3.38281e+06 -4.59753e+03 Step Time 6322 6322.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06639e+03 6.07942e+03 1.99092e+04 2.35777e+02 -1.09354e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88744e+03 1.16610e+05 5.99700e+05 -4.14104e+06 9.82958e+03 Potential Pressure (bar) -3.38281e+06 -4.59778e+03 Step Time 6323 6323.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06567e+03 6.07821e+03 1.99092e+04 2.35792e+02 -1.09356e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88786e+03 1.16609e+05 5.99704e+05 -4.14104e+06 9.82961e+03 Potential Pressure (bar) -3.38282e+06 -4.59734e+03 Step Time 6324 6324.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06893e+03 6.08007e+03 1.99092e+04 2.35767e+02 -1.09354e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88733e+03 1.16610e+05 5.99708e+05 -4.14106e+06 9.82958e+03 Potential Pressure (bar) -3.38282e+06 -4.59776e+03 Step Time 6325 6325.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06849e+03 6.07839e+03 1.99092e+04 2.35790e+02 -1.09356e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88795e+03 1.16609e+05 5.99712e+05 -4.14106e+06 9.82967e+03 Potential Pressure (bar) -3.38283e+06 -4.59714e+03 Step Time 6326 6326.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07392e+03 6.08123e+03 1.99092e+04 2.35761e+02 -1.09353e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88720e+03 1.16610e+05 5.99716e+05 -4.14108e+06 9.82968e+03 Potential Pressure (bar) -3.38283e+06 -4.59781e+03 Step Time 6327 6327.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07464e+03 6.07890e+03 1.99093e+04 2.35794e+02 -1.09356e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88809e+03 1.16609e+05 5.99721e+05 -4.14108e+06 9.82974e+03 Potential Pressure (bar) -3.38283e+06 -4.59694e+03 Step Time 6328 6328.00000 Step Time 6329 6329.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06391e+03 6.07872e+03 1.99093e+04 2.35769e+02 -1.09354e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88754e+03 1.16610e+05 5.99722e+05 -4.14109e+06 9.82970e+03 Potential Pressure (bar) -3.38284e+06 -4.59733e+03 Step Time 6330 6330.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08051e+03 6.07955e+03 1.99093e+04 2.35780e+02 -1.09355e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88815e+03 1.16609e+05 5.99742e+05 -4.14113e+06 9.82990e+03 Potential Pressure (bar) -3.38285e+06 -4.59659e+03 Step Time 6331 6331.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06599e+03 6.07939e+03 1.99093e+04 2.35750e+02 -1.09352e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88736e+03 1.16610e+05 5.99745e+05 -4.14114e+06 9.82984e+03 Potential Pressure (bar) -3.38287e+06 -4.59718e+03 Step Time 6332 6332.00000 Step Time 6333 6333.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06697e+03 6.07836e+03 1.99093e+04 2.35766e+02 -1.09354e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88782e+03 1.16609e+05 5.99750e+05 -4.14115e+06 9.82986e+03 Potential Pressure (bar) -3.38288e+06 -4.59667e+03 Step Time 6334 6334.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06853e+03 6.08006e+03 1.99093e+04 2.35743e+02 -1.09351e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88725e+03 1.16610e+05 5.99752e+05 -4.14116e+06 9.82981e+03 Potential Pressure (bar) -3.38288e+06 -4.59713e+03 Step Time 6335 6335.00000 Step Time 6336 6336.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06363e+03 6.07844e+03 1.99093e+04 2.35752e+02 -1.09352e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88758e+03 1.16609e+05 5.99755e+05 -4.14116e+06 9.82985e+03 Potential Pressure (bar) -3.38289e+06 -4.59678e+03 Step Time 6337 6337.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07095e+03 6.08058e+03 1.99093e+04 2.35733e+02 -1.09350e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88716e+03 1.16610e+05 5.99768e+05 -4.14120e+06 9.82991e+03 Potential Pressure (bar) -3.38290e+06 -4.59698e+03 Step Time 6338 6338.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06424e+03 6.07834e+03 1.99093e+04 2.35748e+02 -1.09352e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88764e+03 1.16609e+05 5.99771e+05 -4.14120e+06 9.82999e+03 Potential Pressure (bar) -3.38291e+06 -4.59651e+03 Step Time 6339 6339.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07524e+03 6.08156e+03 1.99093e+04 2.35721e+02 -1.09349e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88704e+03 1.16610e+05 5.99779e+05 -4.14122e+06 9.83002e+03 Potential Pressure (bar) -3.38291e+06 -4.59696e+03 Step Time 6340 6340.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06634e+03 6.07840e+03 1.99093e+04 2.35745e+02 -1.09351e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88773e+03 1.16609e+05 5.99782e+05 -4.14122e+06 9.83006e+03 Potential Pressure (bar) -3.38292e+06 -4.59625e+03 Step Time 6341 6341.00000 Step Time 6342 6342.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06557e+03 6.07933e+03 1.99093e+04 2.35728e+02 -1.09349e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88731e+03 1.16610e+05 5.99785e+05 -4.14123e+06 9.83001e+03 Potential Pressure (bar) -3.38292e+06 -4.59659e+03 Step Time 6343 6343.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06872e+03 6.07858e+03 1.99093e+04 2.35745e+02 -1.09351e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88779e+03 1.16609e+05 5.99791e+05 -4.14124e+06 9.83015e+03 Potential Pressure (bar) -3.38292e+06 -4.59610e+03 Step Time 6344 6344.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06811e+03 6.08001e+03 1.99093e+04 2.35722e+02 -1.09348e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88719e+03 1.16610e+05 5.99794e+05 -4.14125e+06 9.83008e+03 Potential Pressure (bar) -3.38293e+06 -4.59656e+03 Step Time 6345 6345.00000 Step Time 6346 6346.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06390e+03 6.07846e+03 1.99093e+04 2.35733e+02 -1.09350e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88753e+03 1.16609e+05 5.99796e+05 -4.14126e+06 9.83013e+03 Potential Pressure (bar) -3.38294e+06 -4.59617e+03 Step Time 6347 6347.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07063e+03 6.08057e+03 1.99093e+04 2.35711e+02 -1.09347e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88710e+03 1.16610e+05 5.99804e+05 -4.14128e+06 9.83013e+03 Potential Pressure (bar) -3.38294e+06 -4.59649e+03 Step Time 6348 6348.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06497e+03 6.07841e+03 1.99094e+04 2.35729e+02 -1.09349e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88760e+03 1.16609e+05 5.99807e+05 -4.14128e+06 9.83018e+03 Potential Pressure (bar) -3.38295e+06 -4.59597e+03 Step Time 6349 6349.00000 Step Time 6350 6350.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06495e+03 6.07919e+03 1.99094e+04 2.35714e+02 -1.09348e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88729e+03 1.16610e+05 5.99810e+05 -4.14129e+06 9.83018e+03 Potential Pressure (bar) -3.38296e+06 -4.59620e+03 Step Time 6351 6351.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06621e+03 6.07846e+03 1.99094e+04 2.35725e+02 -1.09349e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88765e+03 1.16609e+05 5.99816e+05 -4.14130e+06 9.83018e+03 Potential Pressure (bar) -3.38296e+06 -4.59581e+03 Step Time 6352 6352.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06647e+03 6.07963e+03 1.99094e+04 2.35706e+02 -1.09347e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88720e+03 1.16610e+05 5.99819e+05 -4.14131e+06 9.83024e+03 Potential Pressure (bar) -3.38297e+06 -4.59616e+03 Step Time 6353 6353.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06875e+03 6.07863e+03 1.99094e+04 2.35723e+02 -1.09349e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88773e+03 1.16609e+05 5.99824e+05 -4.14132e+06 9.83025e+03 Potential Pressure (bar) -3.38297e+06 -4.59564e+03 Step Time 6354 6354.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06970e+03 6.08042e+03 1.99094e+04 2.35697e+02 -1.09346e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88708e+03 1.16610e+05 5.99827e+05 -4.14133e+06 9.83021e+03 Potential Pressure (bar) -3.38297e+06 -4.59616e+03 Step Time 6355 6355.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07393e+03 6.07909e+03 1.99094e+04 2.35725e+02 -1.09349e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88785e+03 1.16608e+05 5.99831e+05 -4.14134e+06 9.83031e+03 Potential Pressure (bar) -3.38297e+06 -4.59547e+03 Step Time 6356 6356.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07640e+03 6.08193e+03 1.99094e+04 2.35691e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88692e+03 1.16610e+05 5.99835e+05 -4.14135e+06 9.83027e+03 Potential Pressure (bar) -3.38298e+06 -4.59622e+03 Step Time 6357 6357.00000 Step Time 6358 6358.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06395e+03 6.07855e+03 1.99094e+04 2.35711e+02 -1.09347e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88746e+03 1.16609e+05 5.99837e+05 -4.14135e+06 9.83032e+03 Potential Pressure (bar) -3.38300e+06 -4.59563e+03 Step Time 6359 6359.00000 Step Time 6360 6360.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06753e+03 6.07991e+03 1.99094e+04 2.35693e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88711e+03 1.16610e+05 5.99844e+05 -4.14137e+06 9.83035e+03 Potential Pressure (bar) -3.38300e+06 -4.59585e+03 Step Time 6361 6361.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06466e+03 6.07851e+03 1.99094e+04 2.35706e+02 -1.09347e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88751e+03 1.16609e+05 5.99847e+05 -4.14137e+06 9.83035e+03 Potential Pressure (bar) -3.38301e+06 -4.59548e+03 Step Time 6362 6362.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07017e+03 6.08053e+03 1.99094e+04 2.35683e+02 -1.09344e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88702e+03 1.16610e+05 5.99852e+05 -4.14139e+06 9.83038e+03 Potential Pressure (bar) -3.38301e+06 -4.59582e+03 Step Time 6363 6363.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06654e+03 6.07856e+03 1.99094e+04 2.35702e+02 -1.09347e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88759e+03 1.16609e+05 5.99856e+05 -4.14139e+06 9.83041e+03 Potential Pressure (bar) -3.38302e+06 -4.59524e+03 Step Time 6364 6364.00000 Step Time 6365 6365.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06447e+03 6.07910e+03 1.99094e+04 2.35687e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88723e+03 1.16609e+05 5.99858e+05 -4.14140e+06 9.83041e+03 Potential Pressure (bar) -3.38302e+06 -4.59552e+03 Step Time 6366 6366.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06854e+03 6.07869e+03 1.99094e+04 2.35702e+02 -1.09346e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88763e+03 1.16609e+05 5.99867e+05 -4.14142e+06 9.83043e+03 Potential Pressure (bar) -3.38303e+06 -4.59505e+03 Step Time 6367 6367.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06587e+03 6.07955e+03 1.99094e+04 2.35679e+02 -1.09344e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88713e+03 1.16609e+05 5.99870e+05 -4.14143e+06 9.83043e+03 Potential Pressure (bar) -3.38303e+06 -4.59540e+03 Step Time 6368 6368.00000 Step Time 6369 6369.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06430e+03 6.07857e+03 1.99094e+04 2.35689e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88742e+03 1.16609e+05 5.99873e+05 -4.14143e+06 9.83043e+03 Potential Pressure (bar) -3.38304e+06 -4.59509e+03 Step Time 6370 6370.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06735e+03 6.07994e+03 1.99094e+04 2.35673e+02 -1.09343e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88705e+03 1.16609e+05 5.99878e+05 -4.14145e+06 9.83048e+03 Potential Pressure (bar) -3.38304e+06 -4.59536e+03 Step Time 6371 6371.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06533e+03 6.07856e+03 1.99095e+04 2.35687e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88747e+03 1.16609e+05 5.99881e+05 -4.14145e+06 9.83055e+03 Potential Pressure (bar) -3.38305e+06 -4.59492e+03 Step Time 6372 6372.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07012e+03 6.08061e+03 1.99094e+04 2.35663e+02 -1.09342e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88695e+03 1.16610e+05 5.99886e+05 -4.14147e+06 9.83054e+03 Potential Pressure (bar) -3.38305e+06 -4.59534e+03 Step Time 6373 6373.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06782e+03 6.07869e+03 1.99095e+04 2.35685e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88756e+03 1.16609e+05 5.99889e+05 -4.14147e+06 9.83058e+03 Potential Pressure (bar) -3.38306e+06 -4.59474e+03 Step Time 6374 6374.00000 Step Time 6375 6375.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06429e+03 6.07909e+03 1.99095e+04 2.35669e+02 -1.09343e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88718e+03 1.16609e+05 5.99891e+05 -4.14148e+06 9.83051e+03 Potential Pressure (bar) -3.38306e+06 -4.59501e+03 Step Time 6376 6376.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07031e+03 6.07891e+03 1.99095e+04 2.35681e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88761e+03 1.16608e+05 5.99903e+05 -4.14150e+06 9.83067e+03 Potential Pressure (bar) -3.38307e+06 -4.59451e+03 Step Time 6377 6377.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06566e+03 6.07953e+03 1.99095e+04 2.35659e+02 -1.09342e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88707e+03 1.16609e+05 5.99905e+05 -4.14151e+06 9.83063e+03 Potential Pressure (bar) -3.38308e+06 -4.59493e+03 Step Time 6378 6378.00000 Step Time 6379 6379.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06480e+03 6.07862e+03 1.99095e+04 2.35669e+02 -1.09343e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88738e+03 1.16609e+05 5.99909e+05 -4.14152e+06 9.83069e+03 Potential Pressure (bar) -3.38309e+06 -4.59455e+03 Step Time 6380 6380.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06716e+03 6.07994e+03 1.99095e+04 2.35652e+02 -1.09341e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88699e+03 1.16609e+05 5.99912e+05 -4.14153e+06 9.83069e+03 Potential Pressure (bar) -3.38309e+06 -4.59486e+03 Step Time 6381 6381.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06623e+03 6.07867e+03 1.99095e+04 2.35667e+02 -1.09343e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88744e+03 1.16609e+05 5.99916e+05 -4.14153e+06 9.83070e+03 Potential Pressure (bar) -3.38309e+06 -4.59442e+03 Step Time 6382 6382.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07007e+03 6.08063e+03 1.99095e+04 2.35644e+02 -1.09340e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88689e+03 1.16610e+05 5.99921e+05 -4.14155e+06 9.83073e+03 Potential Pressure (bar) -3.38310e+06 -4.59485e+03 Step Time 6383 6383.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06945e+03 6.07889e+03 1.99095e+04 2.35668e+02 -1.09342e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88754e+03 1.16608e+05 5.99925e+05 -4.14155e+06 9.83071e+03 Potential Pressure (bar) -3.38310e+06 -4.59421e+03 Step Time 6384 6384.00000 Step Time 6385 6385.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06415e+03 6.07907e+03 1.99095e+04 2.35649e+02 -1.09340e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88713e+03 1.16609e+05 5.99927e+05 -4.14156e+06 9.83069e+03 Potential Pressure (bar) -3.38311e+06 -4.59448e+03 Step Time 6386 6386.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07255e+03 6.07921e+03 1.99095e+04 2.35661e+02 -1.09342e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88759e+03 1.16608e+05 5.99944e+05 -4.14159e+06 9.83082e+03 Potential Pressure (bar) -3.38312e+06 -4.59390e+03 Step Time 6387 6387.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06545e+03 6.07954e+03 1.99095e+04 2.35635e+02 -1.09339e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88700e+03 1.16609e+05 5.99946e+05 -4.14160e+06 9.83080e+03 Potential Pressure (bar) -3.38313e+06 -4.59434e+03 Step Time 6388 6388.00000 Step Time 6389 6389.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06548e+03 6.07870e+03 1.99095e+04 2.35644e+02 -1.09340e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88734e+03 1.16608e+05 5.99950e+05 -4.14161e+06 9.83084e+03 Potential Pressure (bar) -3.38314e+06 -4.59395e+03 Step Time 6390 6390.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06697e+03 6.07995e+03 1.99095e+04 2.35625e+02 -1.09338e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88692e+03 1.16609e+05 5.99954e+05 -4.14162e+06 9.83083e+03 Potential Pressure (bar) -3.38314e+06 -4.59429e+03 Step Time 6391 6391.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06740e+03 6.07881e+03 1.99095e+04 2.35642e+02 -1.09340e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88740e+03 1.16608e+05 5.99958e+05 -4.14163e+06 9.83087e+03 Potential Pressure (bar) -3.38315e+06 -4.59382e+03 Step Time 6392 6392.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07002e+03 6.08069e+03 1.99095e+04 2.35620e+02 -1.09336e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88680e+03 1.16609e+05 5.99962e+05 -4.14164e+06 9.83089e+03 Potential Pressure (bar) -3.38315e+06 -4.59432e+03 Step Time 6393 6393.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07147e+03 6.07913e+03 1.99096e+04 2.35641e+02 -1.09340e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88750e+03 1.16608e+05 5.99966e+05 -4.14165e+06 9.83091e+03 Potential Pressure (bar) -3.38315e+06 -4.59362e+03 Step Time 6394 6394.00000 Step Time 6395 6395.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06405e+03 6.07907e+03 1.99096e+04 2.35625e+02 -1.09338e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88707e+03 1.16609e+05 5.99968e+05 -4.14165e+06 9.83091e+03 Potential Pressure (bar) -3.38316e+06 -4.59392e+03 Step Time 6396 6396.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07535e+03 6.07952e+03 1.99096e+04 2.35641e+02 -1.09338e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88754e+03 1.16608e+05 5.99999e+05 -4.14172e+06 9.83112e+03 Potential Pressure (bar) -3.38319e+06 -4.59308e+03 Step Time 6397 6397.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06525e+03 6.07954e+03 1.99096e+04 2.35606e+02 -1.09334e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88691e+03 1.16609e+05 6.00001e+05 -4.14173e+06 9.83106e+03 Potential Pressure (bar) -3.38320e+06 -4.59356e+03 Step Time 6398 6398.00000 Step Time 6399 6399.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06641e+03 6.07882e+03 1.99096e+04 2.35614e+02 -1.09336e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88726e+03 1.16608e+05 6.00006e+05 -4.14174e+06 9.83113e+03 Potential Pressure (bar) -3.38321e+06 -4.59316e+03 Step Time 6400 6400.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06678e+03 6.07998e+03 1.99096e+04 2.35596e+02 -1.09334e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88682e+03 1.16609e+05 6.00010e+05 -4.14175e+06 9.83110e+03 Potential Pressure (bar) -3.38321e+06 -4.59353e+03 Step Time 6401 6401.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06889e+03 6.07899e+03 1.99096e+04 2.35610e+02 -1.09336e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88734e+03 1.16608e+05 6.00015e+05 -4.14175e+06 9.83117e+03 Potential Pressure (bar) -3.38321e+06 -4.59298e+03 Step Time 6402 6402.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06997e+03 6.08076e+03 1.99096e+04 2.35587e+02 -1.09333e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88671e+03 1.16609e+05 6.00018e+05 -4.14176e+06 9.83122e+03 Potential Pressure (bar) -3.38322e+06 -4.59351e+03 Step Time 6403 6403.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07398e+03 6.07945e+03 1.99096e+04 2.35614e+02 -1.09336e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88746e+03 1.16608e+05 6.00023e+05 -4.14177e+06 9.83121e+03 Potential Pressure (bar) -3.38322e+06 -4.59277e+03 Step Time 6404 6404.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07662e+03 6.08224e+03 1.99096e+04 2.35576e+02 -1.09331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88655e+03 1.16609e+05 6.00026e+05 -4.14179e+06 9.83122e+03 Potential Pressure (bar) -3.38322e+06 -4.59360e+03 Step Time 6405 6405.00000 Step Time 6406 6406.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06419e+03 6.07891e+03 1.99096e+04 2.35594e+02 -1.09334e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88708e+03 1.16608e+05 6.00028e+05 -4.14179e+06 9.83118e+03 Potential Pressure (bar) -3.38324e+06 -4.59297e+03 Step Time 6407 6407.00000 Step Time 6408 6408.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06781e+03 6.08025e+03 1.99096e+04 2.35579e+02 -1.09332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88674e+03 1.16609e+05 6.00035e+05 -4.14181e+06 9.83123e+03 Potential Pressure (bar) -3.38325e+06 -4.59322e+03 Step Time 6409 6409.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06489e+03 6.07886e+03 1.99096e+04 2.35592e+02 -1.09334e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88712e+03 1.16608e+05 6.00038e+05 -4.14181e+06 9.83123e+03 Potential Pressure (bar) -3.38325e+06 -4.59280e+03 Step Time 6410 6410.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07042e+03 6.08087e+03 1.99096e+04 2.35570e+02 -1.09331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88665e+03 1.16609e+05 6.00042e+05 -4.14183e+06 9.83131e+03 Potential Pressure (bar) -3.38326e+06 -4.59317e+03 Step Time 6411 6411.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06673e+03 6.07892e+03 1.99097e+04 2.35592e+02 -1.09334e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88720e+03 1.16608e+05 6.00045e+05 -4.14183e+06 9.83135e+03 Potential Pressure (bar) -3.38326e+06 -4.59260e+03 Step Time 6412 6412.00000 Step Time 6413 6413.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06475e+03 6.07947e+03 1.99096e+04 2.35576e+02 -1.09332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88686e+03 1.16609e+05 6.00048e+05 -4.14184e+06 9.83130e+03 Potential Pressure (bar) -3.38327e+06 -4.59288e+03 Step Time 6414 6414.00000 Step Time 6415 6415.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06443e+03 6.07890e+03 1.99096e+04 2.35581e+02 -1.09332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88706e+03 1.16608e+05 6.00052e+05 -4.14185e+06 9.83138e+03 Potential Pressure (bar) -3.38327e+06 -4.59262e+03 Step Time 6416 6416.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06536e+03 6.07968e+03 1.99096e+04 2.35571e+02 -1.09331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88680e+03 1.16609e+05 6.00056e+05 -4.14186e+06 9.83135e+03 Potential Pressure (bar) -3.38328e+06 -4.59280e+03 Step Time 6417 6417.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06505e+03 6.07889e+03 1.99097e+04 2.35580e+02 -1.09332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88709e+03 1.16608e+05 6.00060e+05 -4.14186e+06 9.83136e+03 Potential Pressure (bar) -3.38328e+06 -4.59247e+03 Step Time 6418 6418.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06656e+03 6.08004e+03 1.99097e+04 2.35564e+02 -1.09330e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88673e+03 1.16609e+05 6.00064e+05 -4.14188e+06 9.83135e+03 Potential Pressure (bar) -3.38329e+06 -4.59276e+03 Step Time 6419 6419.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06640e+03 6.07891e+03 1.99097e+04 2.35576e+02 -1.09332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88714e+03 1.16608e+05 6.00068e+05 -4.14188e+06 9.83141e+03 Potential Pressure (bar) -3.38329e+06 -4.59229e+03 Step Time 6420 6420.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06893e+03 6.08064e+03 1.99097e+04 2.35557e+02 -1.09330e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88663e+03 1.16609e+05 6.00072e+05 -4.14189e+06 9.83140e+03 Potential Pressure (bar) -3.38329e+06 -4.59272e+03 Step Time 6421 6421.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06932e+03 6.07910e+03 1.99097e+04 2.35578e+02 -1.09332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88723e+03 1.16608e+05 6.00076e+05 -4.14190e+06 9.83148e+03 Potential Pressure (bar) -3.38329e+06 -4.59212e+03 Step Time 6422 6422.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07369e+03 6.08173e+03 1.99097e+04 2.35549e+02 -1.09329e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88649e+03 1.16609e+05 6.00080e+05 -4.14191e+06 9.83148e+03 Potential Pressure (bar) -3.38330e+06 -4.59277e+03 Step Time 6423 6423.00000 Step Time 6424 6424.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06410e+03 6.07907e+03 1.99097e+04 2.35567e+02 -1.09330e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88692e+03 1.16608e+05 6.00082e+05 -4.14191e+06 9.83146e+03 Potential Pressure (bar) -3.38331e+06 -4.59227e+03 Step Time 6425 6425.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07811e+03 6.08264e+03 1.99097e+04 2.35524e+02 -1.09326e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88634e+03 1.16609e+05 6.00103e+05 -4.14196e+06 9.83158e+03 Potential Pressure (bar) -3.38332e+06 -4.59254e+03 Step Time 6426 6426.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06490e+03 6.07897e+03 1.99097e+04 2.35549e+02 -1.09329e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88697e+03 1.16608e+05 6.00106e+05 -4.14197e+06 9.83153e+03 Potential Pressure (bar) -3.38334e+06 -4.59183e+03 Step Time 6427 6427.00000 Step Time 6428 6428.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06769e+03 6.08039e+03 1.99097e+04 2.35536e+02 -1.09327e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88659e+03 1.16609e+05 6.00110e+05 -4.14198e+06 9.83154e+03 Potential Pressure (bar) -3.38334e+06 -4.59212e+03 Step Time 6429 6429.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06626e+03 6.07901e+03 1.99097e+04 2.35550e+02 -1.09328e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88703e+03 1.16608e+05 6.00114e+05 -4.14198e+06 9.83162e+03 Potential Pressure (bar) -3.38334e+06 -4.59165e+03 Step Time 6430 6430.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07067e+03 6.08111e+03 1.99097e+04 2.35526e+02 -1.09326e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88648e+03 1.16609e+05 6.00118e+05 -4.14200e+06 9.83161e+03 Potential Pressure (bar) -3.38335e+06 -4.59209e+03 Step Time 6431 6431.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06935e+03 6.07919e+03 1.99098e+04 2.35547e+02 -1.09328e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88713e+03 1.16608e+05 6.00122e+05 -4.14200e+06 9.83167e+03 Potential Pressure (bar) -3.38335e+06 -4.59146e+03 Step Time 6432 6432.00000 Step Time 6433 6433.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06451e+03 6.07949e+03 1.99097e+04 2.35532e+02 -1.09327e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88673e+03 1.16608e+05 6.00124e+05 -4.14201e+06 9.83165e+03 Potential Pressure (bar) -3.38336e+06 -4.59175e+03 Step Time 6434 6434.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07241e+03 6.07942e+03 1.99098e+04 2.35542e+02 -1.09328e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88718e+03 1.16608e+05 6.00138e+05 -4.14204e+06 9.83175e+03 Potential Pressure (bar) -3.38337e+06 -4.59120e+03 Step Time 6435 6435.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06588e+03 6.07995e+03 1.99098e+04 2.35522e+02 -1.09325e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88660e+03 1.16608e+05 6.00140e+05 -4.14204e+06 9.83171e+03 Potential Pressure (bar) -3.38338e+06 -4.59163e+03 Step Time 6436 6436.00000 Step Time 6437 6437.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06558e+03 6.07903e+03 1.99098e+04 2.35529e+02 -1.09326e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88693e+03 1.16608e+05 6.00144e+05 -4.14205e+06 9.83171e+03 Potential Pressure (bar) -3.38338e+06 -4.59126e+03 Step Time 6438 6438.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06746e+03 6.08040e+03 1.99098e+04 2.35515e+02 -1.09324e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88652e+03 1.16609e+05 6.00148e+05 -4.14206e+06 9.83178e+03 Potential Pressure (bar) -3.38339e+06 -4.59159e+03 Step Time 6439 6439.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06740e+03 6.07911e+03 1.99098e+04 2.35529e+02 -1.09326e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88700e+03 1.16608e+05 6.00152e+05 -4.14207e+06 9.83177e+03 Potential Pressure (bar) -3.38340e+06 -4.59109e+03 Step Time 6440 6440.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07059e+03 6.08115e+03 1.99098e+04 2.35507e+02 -1.09323e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88641e+03 1.16609e+05 6.00155e+05 -4.14208e+06 9.83175e+03 Potential Pressure (bar) -3.38340e+06 -4.59158e+03 Step Time 6441 6441.00000 Step Time 6442 6442.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06417e+03 6.07922e+03 1.99098e+04 2.35516e+02 -1.09324e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88676e+03 1.16608e+05 6.00157e+05 -4.14209e+06 9.83178e+03 Potential Pressure (bar) -3.38341e+06 -4.59121e+03 Step Time 6443 6443.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07359e+03 6.08183e+03 1.99098e+04 2.35495e+02 -1.09321e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88626e+03 1.16609e+05 6.00181e+05 -4.14214e+06 9.83192e+03 Potential Pressure (bar) -3.38343e+06 -4.59134e+03 Step Time 6444 6444.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06467e+03 6.07913e+03 1.99098e+04 2.35510e+02 -1.09323e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88678e+03 1.16608e+05 6.00183e+05 -4.14214e+06 9.83192e+03 Potential Pressure (bar) -3.38344e+06 -4.59078e+03 Step Time 6445 6445.00000 Step Time 6446 6446.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06665e+03 6.08023e+03 1.99098e+04 2.35492e+02 -1.09321e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88647e+03 1.16608e+05 6.00188e+05 -4.14215e+06 9.83191e+03 Potential Pressure (bar) -3.38344e+06 -4.59098e+03 Step Time 6447 6447.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06550e+03 6.07909e+03 1.99098e+04 2.35504e+02 -1.09323e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88684e+03 1.16608e+05 6.00191e+05 -4.14216e+06 9.83193e+03 Potential Pressure (bar) -3.38345e+06 -4.59061e+03 Step Time 6448 6448.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06863e+03 6.08075e+03 1.99098e+04 2.35484e+02 -1.09320e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88638e+03 1.16608e+05 6.00195e+05 -4.14217e+06 9.83196e+03 Potential Pressure (bar) -3.38345e+06 -4.59095e+03 Step Time 6449 6449.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06744e+03 6.07917e+03 1.99098e+04 2.35502e+02 -1.09322e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88692e+03 1.16607e+05 6.00200e+05 -4.14218e+06 9.83196e+03 Potential Pressure (bar) -3.38345e+06 -4.59043e+03 Step Time 6450 6450.00000 Step Time 6451 6451.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06452e+03 6.07957e+03 1.99098e+04 2.35489e+02 -1.09321e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88659e+03 1.16608e+05 6.00201e+05 -4.14218e+06 9.83198e+03 Potential Pressure (bar) -3.38346e+06 -4.59067e+03 Step Time 6452 6452.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06939e+03 6.07926e+03 1.99099e+04 2.35498e+02 -1.09322e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88693e+03 1.16607e+05 6.00215e+05 -4.14221e+06 9.83208e+03 Potential Pressure (bar) -3.38347e+06 -4.59018e+03 Step Time 6453 6453.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06548e+03 6.07992e+03 1.99099e+04 2.35478e+02 -1.09319e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88647e+03 1.16608e+05 6.00216e+05 -4.14222e+06 9.83212e+03 Potential Pressure (bar) -3.38348e+06 -4.59056e+03 Step Time 6454 6454.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07291e+03 6.07960e+03 1.99099e+04 2.35494e+02 -1.09321e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88702e+03 1.16607e+05 6.00225e+05 -4.14223e+06 9.83212e+03 Potential Pressure (bar) -3.38348e+06 -4.58997e+03 Step Time 6455 6455.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06787e+03 6.08062e+03 1.99099e+04 2.35471e+02 -1.09318e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88635e+03 1.16608e+05 6.00227e+05 -4.14224e+06 9.83212e+03 Potential Pressure (bar) -3.38349e+06 -4.59052e+03 Step Time 6456 6456.00000 Step Time 6457 6457.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06527e+03 6.07917e+03 1.99099e+04 2.35483e+02 -1.09320e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88674e+03 1.16608e+05 6.00230e+05 -4.14225e+06 9.83212e+03 Potential Pressure (bar) -3.38350e+06 -4.59011e+03 Step Time 6458 6458.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07043e+03 6.08123e+03 1.99099e+04 2.35460e+02 -1.09317e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88625e+03 1.16608e+05 6.00235e+05 -4.14226e+06 9.83212e+03 Potential Pressure (bar) -3.38350e+06 -4.59048e+03 Step Time 6459 6459.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06716e+03 6.07923e+03 1.99099e+04 2.35480e+02 -1.09320e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88682e+03 1.16607e+05 6.00239e+05 -4.14227e+06 9.83215e+03 Potential Pressure (bar) -3.38350e+06 -4.58992e+03 Step Time 6460 6460.00000 Step Time 6461 6461.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06493e+03 6.07978e+03 1.99099e+04 2.35467e+02 -1.09318e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88647e+03 1.16608e+05 6.00241e+05 -4.14227e+06 9.83221e+03 Potential Pressure (bar) -3.38351e+06 -4.59019e+03 Step Time 6462 6462.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06915e+03 6.07935e+03 1.99099e+04 2.35475e+02 -1.09319e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88687e+03 1.16607e+05 6.00249e+05 -4.14229e+06 9.83223e+03 Potential Pressure (bar) -3.38351e+06 -4.58973e+03 Step Time 6463 6463.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06628e+03 6.08022e+03 1.99099e+04 2.35456e+02 -1.09317e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88637e+03 1.16608e+05 6.00251e+05 -4.14230e+06 9.83221e+03 Potential Pressure (bar) -3.38352e+06 -4.59011e+03 Step Time 6464 6464.00000 Step Time 6465 6465.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06487e+03 6.07924e+03 1.99099e+04 2.35463e+02 -1.09318e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88666e+03 1.16608e+05 6.00254e+05 -4.14230e+06 9.83225e+03 Potential Pressure (bar) -3.38352e+06 -4.58979e+03 Step Time 6466 6466.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06770e+03 6.08060e+03 1.99099e+04 2.35449e+02 -1.09316e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88629e+03 1.16608e+05 6.00260e+05 -4.14232e+06 9.83228e+03 Potential Pressure (bar) -3.38353e+06 -4.59006e+03 Step Time 6467 6467.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06595e+03 6.07920e+03 1.99099e+04 2.35461e+02 -1.09318e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88671e+03 1.16607e+05 6.00263e+05 -4.14232e+06 9.83226e+03 Potential Pressure (bar) -3.38353e+06 -4.58961e+03 Step Time 6468 6468.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07038e+03 6.08125e+03 1.99099e+04 2.35438e+02 -1.09315e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88619e+03 1.16608e+05 6.00268e+05 -4.14233e+06 9.83229e+03 Potential Pressure (bar) -3.38354e+06 -4.59005e+03 Step Time 6469 6469.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06845e+03 6.07934e+03 1.99099e+04 2.35457e+02 -1.09317e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88680e+03 1.16607e+05 6.00271e+05 -4.14234e+06 9.83235e+03 Potential Pressure (bar) -3.38354e+06 -4.58944e+03 Step Time 6470 6470.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07556e+03 6.08242e+03 1.99099e+04 2.35429e+02 -1.09314e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88607e+03 1.16608e+05 6.00275e+05 -4.14235e+06 9.83235e+03 Potential Pressure (bar) -3.38354e+06 -4.59008e+03 Step Time 6471 6471.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07406e+03 6.07981e+03 1.99099e+04 2.35462e+02 -1.09318e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88694e+03 1.16607e+05 6.00278e+05 -4.14236e+06 9.83233e+03 Potential Pressure (bar) -3.38355e+06 -4.58923e+03 Step Time 6472 6472.00000 Step Time 6473 6473.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06493e+03 6.07983e+03 1.99099e+04 2.35440e+02 -1.09315e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88640e+03 1.16608e+05 6.00280e+05 -4.14236e+06 9.83234e+03 Potential Pressure (bar) -3.38356e+06 -4.58964e+03 Step Time 6474 6474.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07951e+03 6.08036e+03 1.99100e+04 2.35458e+02 -1.09317e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88702e+03 1.16607e+05 6.00294e+05 -4.14239e+06 9.83242e+03 Potential Pressure (bar) -3.38356e+06 -4.58893e+03 Step Time 6475 6475.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06726e+03 6.08052e+03 1.99100e+04 2.35425e+02 -1.09313e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88624e+03 1.16608e+05 6.00296e+05 -4.14240e+06 9.83241e+03 Potential Pressure (bar) -3.38358e+06 -4.58955e+03 Step Time 6476 6476.00000 Step Time 6477 6477.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06709e+03 6.07934e+03 1.99100e+04 2.35440e+02 -1.09315e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88669e+03 1.16607e+05 6.00300e+05 -4.14241e+06 9.83244e+03 Potential Pressure (bar) -3.38359e+06 -4.58906e+03 Step Time 6478 6478.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06997e+03 6.08119e+03 1.99100e+04 2.35417e+02 -1.09312e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88614e+03 1.16608e+05 6.00303e+05 -4.14242e+06 9.83244e+03 Potential Pressure (bar) -3.38359e+06 -4.58950e+03 Step Time 6479 6479.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07041e+03 6.07958e+03 1.99100e+04 2.35441e+02 -1.09315e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88678e+03 1.16607e+05 6.00307e+05 -4.14243e+06 9.83241e+03 Potential Pressure (bar) -3.38359e+06 -4.58887e+03 Step Time 6480 6480.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07543e+03 6.08240e+03 1.99100e+04 2.35410e+02 -1.09311e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88600e+03 1.16608e+05 6.00311e+05 -4.14244e+06 9.83251e+03 Potential Pressure (bar) -3.38359e+06 -4.58954e+03 Step Time 6481 6481.00000 Step Time 6482 6482.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06440e+03 6.07947e+03 1.99100e+04 2.35427e+02 -1.09313e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88645e+03 1.16608e+05 6.00312e+05 -4.14244e+06 9.83246e+03 Potential Pressure (bar) -3.38360e+06 -4.58902e+03 Step Time 6483 6483.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08064e+03 6.08332e+03 1.99100e+04 2.35386e+02 -1.09309e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88586e+03 1.16609e+05 6.00336e+05 -4.14249e+06 9.83258e+03 Potential Pressure (bar) -3.38361e+06 -4.58929e+03 Step Time 6484 6484.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06533e+03 6.07938e+03 1.99100e+04 2.35409e+02 -1.09312e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88652e+03 1.16607e+05 6.00338e+05 -4.14249e+06 9.83256e+03 Potential Pressure (bar) -3.38363e+06 -4.58858e+03 Step Time 6485 6485.00000 Step Time 6486 6486.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06856e+03 6.08086e+03 1.99100e+04 2.35392e+02 -1.09309e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88610e+03 1.16608e+05 6.00343e+05 -4.14251e+06 9.83259e+03 Potential Pressure (bar) -3.38364e+06 -4.58889e+03 Step Time 6487 6487.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06691e+03 6.07941e+03 1.99100e+04 2.35409e+02 -1.09312e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88658e+03 1.16607e+05 6.00346e+05 -4.14251e+06 9.83262e+03 Potential Pressure (bar) -3.38364e+06 -4.58842e+03 Step Time 6488 6488.00000 Step Time 6489 6489.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06477e+03 6.07982e+03 1.99100e+04 2.35400e+02 -1.09310e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88629e+03 1.16608e+05 6.00348e+05 -4.14252e+06 9.83268e+03 Potential Pressure (bar) -3.38364e+06 -4.58862e+03 Step Time 6490 6490.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06854e+03 6.07948e+03 1.99101e+04 2.35407e+02 -1.09311e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88661e+03 1.16607e+05 6.00359e+05 -4.14254e+06 9.83267e+03 Potential Pressure (bar) -3.38365e+06 -4.58819e+03 Step Time 6491 6491.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06567e+03 6.08015e+03 1.99101e+04 2.35391e+02 -1.09309e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88619e+03 1.16608e+05 6.00361e+05 -4.14255e+06 9.83270e+03 Potential Pressure (bar) -3.38366e+06 -4.58853e+03 Step Time 6492 6492.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07142e+03 6.07973e+03 1.99101e+04 2.35403e+02 -1.09311e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88669e+03 1.16607e+05 6.00368e+05 -4.14256e+06 9.83272e+03 Potential Pressure (bar) -3.38366e+06 -4.58799e+03 Step Time 6493 6493.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06786e+03 6.08077e+03 1.99101e+04 2.35379e+02 -1.09308e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88607e+03 1.16608e+05 6.00371e+05 -4.14257e+06 9.83274e+03 Potential Pressure (bar) -3.38367e+06 -4.58848e+03 Step Time 6494 6494.00000 Step Time 6495 6495.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06517e+03 6.07943e+03 1.99101e+04 2.35391e+02 -1.09309e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88643e+03 1.16607e+05 6.00374e+05 -4.14258e+06 9.83273e+03 Potential Pressure (bar) -3.38368e+06 -4.58808e+03 Step Time 6496 6496.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07014e+03 6.08131e+03 1.99101e+04 2.35371e+02 -1.09307e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88599e+03 1.16608e+05 6.00379e+05 -4.14259e+06 9.83273e+03 Potential Pressure (bar) -3.38368e+06 -4.58843e+03 Step Time 6497 6497.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06670e+03 6.07946e+03 1.99101e+04 2.35387e+02 -1.09309e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88650e+03 1.16607e+05 6.00382e+05 -4.14259e+06 9.83271e+03 Potential Pressure (bar) -3.38369e+06 -4.58788e+03 Step Time 6498 6498.00000 Step Time 6499 6499.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06516e+03 6.08001e+03 1.99101e+04 2.35373e+02 -1.09307e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88619e+03 1.16608e+05 6.00384e+05 -4.14260e+06 9.83274e+03 Potential Pressure (bar) -3.38369e+06 -4.58814e+03 Step Time 6500 6500.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06831e+03 6.07953e+03 1.99101e+04 2.35388e+02 -1.09309e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88654e+03 1.16607e+05 6.00392e+05 -4.14261e+06 9.83278e+03 Potential Pressure (bar) -3.38370e+06 -4.58770e+03 Step Time 6501 6501.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06641e+03 6.08041e+03 1.99101e+04 2.35368e+02 -1.09306e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88609e+03 1.16608e+05 6.00394e+05 -4.14262e+06 9.83281e+03 Potential Pressure (bar) -3.38370e+06 -4.58807e+03 Step Time 6502 6502.00000 Step Time 6503 6503.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06486e+03 6.07950e+03 1.99101e+04 2.35378e+02 -1.09308e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88635e+03 1.16607e+05 6.00397e+05 -4.14263e+06 9.83284e+03 Potential Pressure (bar) -3.38371e+06 -4.58778e+03 Step Time 6504 6504.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06771e+03 6.08074e+03 1.99101e+04 2.35360e+02 -1.09306e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88602e+03 1.16608e+05 6.00402e+05 -4.14264e+06 9.83285e+03 Potential Pressure (bar) -3.38371e+06 -4.58803e+03 Step Time 6505 6505.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06570e+03 6.07947e+03 1.99101e+04 2.35372e+02 -1.09307e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88640e+03 1.16607e+05 6.00406e+05 -4.14265e+06 9.83285e+03 Potential Pressure (bar) -3.38372e+06 -4.58762e+03 Step Time 6506 6506.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07012e+03 6.08130e+03 1.99101e+04 2.35352e+02 -1.09305e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88594e+03 1.16608e+05 6.00410e+05 -4.14266e+06 9.83283e+03 Potential Pressure (bar) -3.38372e+06 -4.58799e+03 Step Time 6507 6507.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06773e+03 6.07955e+03 1.99101e+04 2.35372e+02 -1.09307e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88648e+03 1.16607e+05 6.00413e+05 -4.14267e+06 9.83287e+03 Potential Pressure (bar) -3.38373e+06 -4.58743e+03 Step Time 6508 6508.00000 Step Time 6509 6509.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06499e+03 6.07998e+03 1.99101e+04 2.35357e+02 -1.09305e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88614e+03 1.16607e+05 6.00415e+05 -4.14267e+06 9.83284e+03 Potential Pressure (bar) -3.38373e+06 -4.58766e+03 Step Time 6510 6510.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06983e+03 6.07970e+03 1.99101e+04 2.35366e+02 -1.09307e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88653e+03 1.16607e+05 6.00425e+05 -4.14270e+06 9.83291e+03 Potential Pressure (bar) -3.38374e+06 -4.58720e+03 Step Time 6511 6511.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06622e+03 6.08037e+03 1.99101e+04 2.35345e+02 -1.09304e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88603e+03 1.16607e+05 6.00428e+05 -4.14270e+06 9.83294e+03 Potential Pressure (bar) -3.38375e+06 -4.58758e+03 Step Time 6512 6512.00000 Step Time 6513 6513.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06526e+03 6.07952e+03 1.99101e+04 2.35356e+02 -1.09305e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88632e+03 1.16607e+05 6.00431e+05 -4.14271e+06 9.83291e+03 Potential Pressure (bar) -3.38376e+06 -4.58725e+03 Step Time 6514 6514.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06753e+03 6.08071e+03 1.99101e+04 2.35338e+02 -1.09303e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88596e+03 1.16608e+05 6.00435e+05 -4.14272e+06 9.83298e+03 Potential Pressure (bar) -3.38376e+06 -4.58753e+03 Step Time 6515 6515.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06643e+03 6.07954e+03 1.99102e+04 2.35353e+02 -1.09305e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88638e+03 1.16607e+05 6.00438e+05 -4.14273e+06 9.83293e+03 Potential Pressure (bar) -3.38376e+06 -4.58711e+03 Step Time 6516 6516.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07007e+03 6.08132e+03 1.99102e+04 2.35331e+02 -1.09302e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88587e+03 1.16608e+05 6.00442e+05 -4.14274e+06 9.83297e+03 Potential Pressure (bar) -3.38376e+06 -4.58752e+03 Step Time 6517 6517.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06907e+03 6.07970e+03 1.99102e+04 2.35354e+02 -1.09305e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88647e+03 1.16607e+05 6.00447e+05 -4.14274e+06 9.83297e+03 Potential Pressure (bar) -3.38377e+06 -4.58694e+03 Step Time 6518 6518.00000 Step Time 6519 6519.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06487e+03 6.07994e+03 1.99102e+04 2.35337e+02 -1.09303e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88610e+03 1.16607e+05 6.00448e+05 -4.14275e+06 9.83304e+03 Potential Pressure (bar) -3.38378e+06 -4.58719e+03 Step Time 6520 6520.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07166e+03 6.07991e+03 1.99102e+04 2.35348e+02 -1.09305e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88650e+03 1.16606e+05 6.00463e+05 -4.14278e+06 9.83310e+03 Potential Pressure (bar) -3.38379e+06 -4.58664e+03 Step Time 6521 6521.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06602e+03 6.08036e+03 1.99102e+04 2.35324e+02 -1.09302e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88597e+03 1.16607e+05 6.00464e+05 -4.14279e+06 9.83307e+03 Potential Pressure (bar) -3.38380e+06 -4.58706e+03 Step Time 6522 6522.00000 Step Time 6523 6523.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06583e+03 6.07957e+03 1.99102e+04 2.35331e+02 -1.09303e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88628e+03 1.16607e+05 6.00468e+05 -4.14279e+06 9.83301e+03 Potential Pressure (bar) -3.38380e+06 -4.58672e+03 Step Time 6524 6524.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06737e+03 6.08073e+03 1.99102e+04 2.35317e+02 -1.09301e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88590e+03 1.16607e+05 6.00472e+05 -4.14281e+06 9.83312e+03 Potential Pressure (bar) -3.38381e+06 -4.58702e+03 Step Time 6525 6525.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06738e+03 6.07963e+03 1.99102e+04 2.35333e+02 -1.09302e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88634e+03 1.16607e+05 6.00476e+05 -4.14281e+06 9.83306e+03 Potential Pressure (bar) -3.38381e+06 -4.58654e+03 Step Time 6526 6526.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07003e+03 6.08138e+03 1.99102e+04 2.35311e+02 -1.09300e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88579e+03 1.16608e+05 6.00479e+05 -4.14282e+06 9.83308e+03 Potential Pressure (bar) -3.38381e+06 -4.58701e+03 Step Time 6527 6527.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07074e+03 6.07987e+03 1.99102e+04 2.35331e+02 -1.09302e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88644e+03 1.16606e+05 6.00483e+05 -4.14282e+06 9.83309e+03 Potential Pressure (bar) -3.38381e+06 -4.58635e+03 Step Time 6528 6528.00000 Step Time 6529 6529.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06476e+03 6.07994e+03 1.99102e+04 2.35313e+02 -1.09301e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88604e+03 1.16607e+05 6.00485e+05 -4.14283e+06 9.83311e+03 Potential Pressure (bar) -3.38382e+06 -4.58665e+03 Step Time 6530 6530.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07406e+03 6.08012e+03 1.99103e+04 2.35322e+02 -1.09300e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88644e+03 1.16606e+05 6.00511e+05 -4.14289e+06 9.83326e+03 Potential Pressure (bar) -3.38384e+06 -4.58594e+03 Step Time 6531 6531.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06588e+03 6.08030e+03 1.99102e+04 2.35296e+02 -1.09298e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88589e+03 1.16607e+05 6.00513e+05 -4.14289e+06 9.83322e+03 Potential Pressure (bar) -3.38386e+06 -4.58635e+03 Step Time 6532 6532.00000 Step Time 6533 6533.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06656e+03 6.07965e+03 1.99103e+04 2.35305e+02 -1.09299e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88622e+03 1.16606e+05 6.00517e+05 -4.14290e+06 9.83328e+03 Potential Pressure (bar) -3.38386e+06 -4.58599e+03 Step Time 6534 6534.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06721e+03 6.08071e+03 1.99103e+04 2.35289e+02 -1.09298e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88581e+03 1.16607e+05 6.00520e+05 -4.14291e+06 9.83328e+03 Potential Pressure (bar) -3.38386e+06 -4.58633e+03 Step Time 6535 6535.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06861e+03 6.07976e+03 1.99103e+04 2.35302e+02 -1.09299e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88629e+03 1.16606e+05 6.00524e+05 -4.14292e+06 9.83330e+03 Potential Pressure (bar) -3.38387e+06 -4.58580e+03 Step Time 6536 6536.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06998e+03 6.08139e+03 1.99103e+04 2.35278e+02 -1.09297e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88570e+03 1.16607e+05 6.00527e+05 -4.14293e+06 9.83327e+03 Potential Pressure (bar) -3.38387e+06 -4.58630e+03 Step Time 6537 6537.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07282e+03 6.08013e+03 1.99103e+04 2.35302e+02 -1.09299e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88639e+03 1.16606e+05 6.00532e+05 -4.14294e+06 9.83329e+03 Potential Pressure (bar) -3.38387e+06 -4.58565e+03 Step Time 6538 6538.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07574e+03 6.08266e+03 1.99103e+04 2.35270e+02 -1.09296e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88555e+03 1.16608e+05 6.00535e+05 -4.14295e+06 9.83329e+03 Potential Pressure (bar) -3.38388e+06 -4.58634e+03 Step Time 6539 6539.00000 Step Time 6540 6540.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06481e+03 6.07972e+03 1.99103e+04 2.35289e+02 -1.09297e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88604e+03 1.16607e+05 6.00537e+05 -4.14295e+06 9.83329e+03 Potential Pressure (bar) -3.38389e+06 -4.58581e+03 Step Time 6541 6541.00000 Step Time 6542 6542.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06812e+03 6.08093e+03 1.99103e+04 2.35272e+02 -1.09295e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88573e+03 1.16607e+05 6.00544e+05 -4.14297e+06 9.83337e+03 Potential Pressure (bar) -3.38389e+06 -4.58601e+03 Step Time 6543 6543.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06535e+03 6.07969e+03 1.99103e+04 2.35283e+02 -1.09297e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88608e+03 1.16606e+05 6.00547e+05 -4.14297e+06 9.83336e+03 Potential Pressure (bar) -3.38390e+06 -4.58562e+03 Step Time 6544 6544.00000 Step Time 6545 6545.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06531e+03 6.08018e+03 1.99103e+04 2.35271e+02 -1.09296e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88586e+03 1.16607e+05 6.00550e+05 -4.14298e+06 9.83338e+03 Potential Pressure (bar) -3.38391e+06 -4.58579e+03 Step Time 6546 6546.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06600e+03 6.07968e+03 1.99103e+04 2.35276e+02 -1.09296e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88611e+03 1.16606e+05 6.00555e+05 -4.14299e+06 9.83343e+03 Potential Pressure (bar) -3.38391e+06 -4.58548e+03 Step Time 6547 6547.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06606e+03 6.08042e+03 1.99103e+04 2.35261e+02 -1.09295e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88579e+03 1.16607e+05 6.00558e+05 -4.14300e+06 9.83335e+03 Potential Pressure (bar) -3.38391e+06 -4.58572e+03 Step Time 6548 6548.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06728e+03 6.07975e+03 1.99103e+04 2.35276e+02 -1.09296e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88616e+03 1.16606e+05 6.00563e+05 -4.14300e+06 9.83337e+03 Potential Pressure (bar) -3.38392e+06 -4.58533e+03 Step Time 6549 6549.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06766e+03 6.08086e+03 1.99103e+04 2.35257e+02 -1.09294e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88571e+03 1.16607e+05 6.00566e+05 -4.14301e+06 9.83338e+03 Potential Pressure (bar) -3.38392e+06 -4.58570e+03 Step Time 6550 6550.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06989e+03 6.07994e+03 1.99103e+04 2.35279e+02 -1.09296e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88624e+03 1.16606e+05 6.00570e+05 -4.14302e+06 9.83342e+03 Potential Pressure (bar) -3.38392e+06 -4.58514e+03 Step Time 6551 6551.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07104e+03 6.08165e+03 1.99103e+04 2.35249e+02 -1.09293e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88559e+03 1.16607e+05 6.00573e+05 -4.14303e+06 9.83345e+03 Potential Pressure (bar) -3.38393e+06 -4.58572e+03 Step Time 6552 6552.00000 Step Time 6553 6553.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06484e+03 6.07978e+03 1.99103e+04 2.35266e+02 -1.09295e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88597e+03 1.16607e+05 6.00575e+05 -4.14303e+06 9.83340e+03 Potential Pressure (bar) -3.38394e+06 -4.58526e+03 Step Time 6554 6554.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07425e+03 6.08237e+03 1.99103e+04 2.35236e+02 -1.09292e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88548e+03 1.16607e+05 6.00585e+05 -4.14306e+06 9.83346e+03 Potential Pressure (bar) -3.38394e+06 -4.58560e+03 Step Time 6555 6555.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06583e+03 6.07972e+03 1.99104e+04 2.35256e+02 -1.09294e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88604e+03 1.16606e+05 6.00588e+05 -4.14306e+06 9.83343e+03 Potential Pressure (bar) -3.38395e+06 -4.58501e+03 Step Time 6556 6556.00000 Step Time 6557 6557.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06679e+03 6.08066e+03 1.99104e+04 2.35241e+02 -1.09293e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88570e+03 1.16607e+05 6.00591e+05 -4.14307e+06 9.83346e+03 Potential Pressure (bar) -3.38395e+06 -4.58526e+03 Step Time 6558 6558.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06714e+03 6.07976e+03 1.99104e+04 2.35256e+02 -1.09294e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88609e+03 1.16606e+05 6.00596e+05 -4.14308e+06 9.83348e+03 Potential Pressure (bar) -3.38396e+06 -4.58484e+03 Step Time 6559 6559.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06886e+03 6.08117e+03 1.99104e+04 2.35234e+02 -1.09292e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88560e+03 1.16607e+05 6.00599e+05 -4.14309e+06 9.83351e+03 Potential Pressure (bar) -3.38396e+06 -4.58523e+03 Step Time 6560 6560.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06992e+03 6.07996e+03 1.99104e+04 2.35254e+02 -1.09294e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88618e+03 1.16606e+05 6.00603e+05 -4.14310e+06 9.83354e+03 Potential Pressure (bar) -3.38396e+06 -4.58469e+03 Step Time 6561 6561.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07305e+03 6.08215e+03 1.99104e+04 2.35226e+02 -1.09291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88547e+03 1.16607e+05 6.00606e+05 -4.14311e+06 9.83353e+03 Potential Pressure (bar) -3.38397e+06 -4.58525e+03 Step Time 6562 6562.00000 Step Time 6563 6563.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06480e+03 6.07984e+03 1.99104e+04 2.35241e+02 -1.09292e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88588e+03 1.16606e+05 6.00608e+05 -4.14311e+06 9.83350e+03 Potential Pressure (bar) -3.38398e+06 -4.58479e+03 Step Time 6564 6564.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07704e+03 6.08300e+03 1.99104e+04 2.35208e+02 -1.09289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88534e+03 1.16607e+05 6.00625e+05 -4.14315e+06 9.83365e+03 Potential Pressure (bar) -3.38398e+06 -4.58511e+03 Step Time 6565 6565.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06569e+03 6.07975e+03 1.99104e+04 2.35231e+02 -1.09291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88594e+03 1.16606e+05 6.00628e+05 -4.14315e+06 9.83359e+03 Potential Pressure (bar) -3.38400e+06 -4.58448e+03 Step Time 6566 6566.00000 Step Time 6567 6567.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06775e+03 6.08095e+03 1.99104e+04 2.35213e+02 -1.09289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88557e+03 1.16607e+05 6.00631e+05 -4.14316e+06 9.83363e+03 Potential Pressure (bar) -3.38400e+06 -4.58473e+03 Step Time 6568 6568.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06701e+03 6.07977e+03 1.99104e+04 2.35230e+02 -1.09291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88600e+03 1.16606e+05 6.00634e+05 -4.14317e+06 9.83358e+03 Potential Pressure (bar) -3.38401e+06 -4.58429e+03 Step Time 6569 6569.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07036e+03 6.08159e+03 1.99104e+04 2.35207e+02 -1.09288e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88548e+03 1.16607e+05 6.00638e+05 -4.14318e+06 9.83363e+03 Potential Pressure (bar) -3.38401e+06 -4.58474e+03 Step Time 6570 6570.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06995e+03 6.07997e+03 1.99104e+04 2.35231e+02 -1.09291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88610e+03 1.16606e+05 6.00642e+05 -4.14318e+06 9.83358e+03 Potential Pressure (bar) -3.38401e+06 -4.58412e+03 Step Time 6571 6571.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07555e+03 6.08272e+03 1.99104e+04 2.35197e+02 -1.09287e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88534e+03 1.16607e+05 6.00646e+05 -4.14319e+06 9.83365e+03 Potential Pressure (bar) -3.38401e+06 -4.58480e+03 Step Time 6572 6572.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07634e+03 6.08055e+03 1.99105e+04 2.35229e+02 -1.09291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88624e+03 1.16605e+05 6.00650e+05 -4.14320e+06 9.83370e+03 Potential Pressure (bar) -3.38401e+06 -4.58395e+03 Step Time 6573 6573.00000 Step Time 6574 6574.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06519e+03 6.08022e+03 1.99104e+04 2.35207e+02 -1.09289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88569e+03 1.16606e+05 6.00651e+05 -4.14321e+06 9.83365e+03 Potential Pressure (bar) -3.38403e+06 -4.58431e+03 Step Time 6575 6575.00000 Step Time 6576 6576.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06801e+03 6.07987e+03 1.99105e+04 2.35218e+02 -1.09289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88599e+03 1.16606e+05 6.00661e+05 -4.14322e+06 9.83365e+03 Potential Pressure (bar) -3.38404e+06 -4.58393e+03 Step Time 6577 6577.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06602e+03 6.08052e+03 1.99105e+04 2.35200e+02 -1.09288e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88560e+03 1.16607e+05 6.00663e+05 -4.14323e+06 9.83371e+03 Potential Pressure (bar) -3.38404e+06 -4.58422e+03 Step Time 6578 6578.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07042e+03 6.08002e+03 1.99105e+04 2.35214e+02 -1.09289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88605e+03 1.16606e+05 6.00669e+05 -4.14324e+06 9.83373e+03 Potential Pressure (bar) -3.38405e+06 -4.58372e+03 Step Time 6579 6579.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06801e+03 6.08107e+03 1.99105e+04 2.35190e+02 -1.09287e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88549e+03 1.16607e+05 6.00671e+05 -4.14325e+06 9.83372e+03 Potential Pressure (bar) -3.38405e+06 -4.58418e+03 Step Time 6580 6580.00000 Step Time 6581 6581.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06533e+03 6.07982e+03 1.99105e+04 2.35202e+02 -1.09288e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88582e+03 1.16606e+05 6.00674e+05 -4.14326e+06 9.83372e+03 Potential Pressure (bar) -3.38406e+06 -4.58380e+03 Step Time 6582 6582.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07004e+03 6.08153e+03 1.99105e+04 2.35183e+02 -1.09286e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88540e+03 1.16607e+05 6.00679e+05 -4.14327e+06 9.83374e+03 Potential Pressure (bar) -3.38406e+06 -4.58415e+03 Step Time 6583 6583.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06652e+03 6.07981e+03 1.99105e+04 2.35202e+02 -1.09288e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88588e+03 1.16606e+05 6.00682e+05 -4.14327e+06 9.83371e+03 Potential Pressure (bar) -3.38407e+06 -4.58364e+03 Step Time 6584 6584.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07380e+03 6.08238e+03 1.99105e+04 2.35174e+02 -1.09285e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88529e+03 1.16607e+05 6.00687e+05 -4.14329e+06 9.83374e+03 Potential Pressure (bar) -3.38407e+06 -4.58415e+03 Step Time 6585 6585.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06952e+03 6.07998e+03 1.99105e+04 2.35199e+02 -1.09288e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88598e+03 1.16606e+05 6.00690e+05 -4.14330e+06 9.83378e+03 Potential Pressure (bar) -3.38408e+06 -4.58342e+03 Step Time 6586 6586.00000 Step Time 6587 6587.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06573e+03 6.08044e+03 1.99105e+04 2.35183e+02 -1.09286e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88556e+03 1.16606e+05 6.00692e+05 -4.14330e+06 9.83376e+03 Potential Pressure (bar) -3.38408e+06 -4.58376e+03 Step Time 6588 6588.00000 Step Time 6589 6589.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06571e+03 6.07983e+03 1.99105e+04 2.35186e+02 -1.09287e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88580e+03 1.16606e+05 6.00696e+05 -4.14331e+06 9.83377e+03 Potential Pressure (bar) -3.38409e+06 -4.58347e+03 Step Time 6590 6590.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06658e+03 6.08068e+03 1.99105e+04 2.35174e+02 -1.09285e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88549e+03 1.16606e+05 6.00699e+05 -4.14332e+06 9.83379e+03 Potential Pressure (bar) -3.38409e+06 -4.58370e+03 Step Time 6591 6591.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06673e+03 6.07985e+03 1.99105e+04 2.35186e+02 -1.09286e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88585e+03 1.16606e+05 6.00704e+05 -4.14332e+06 9.83378e+03 Potential Pressure (bar) -3.38410e+06 -4.58331e+03 Step Time 6592 6592.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06826e+03 6.08113e+03 1.99105e+04 2.35168e+02 -1.09284e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88540e+03 1.16607e+05 6.00707e+05 -4.14333e+06 9.83378e+03 Potential Pressure (bar) -3.38410e+06 -4.58369e+03 Step Time 6593 6593.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06891e+03 6.07997e+03 1.99105e+04 2.35187e+02 -1.09286e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88592e+03 1.16606e+05 6.00711e+05 -4.14334e+06 9.83379e+03 Potential Pressure (bar) -3.38410e+06 -4.58316e+03 Step Time 6594 6594.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07167e+03 6.08192e+03 1.99105e+04 2.35161e+02 -1.09283e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88529e+03 1.16607e+05 6.00714e+05 -4.14335e+06 9.83378e+03 Potential Pressure (bar) -3.38411e+06 -4.58369e+03 Step Time 6595 6595.00000 Step Time 6596 6596.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06491e+03 6.07996e+03 1.99105e+04 2.35172e+02 -1.09285e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88566e+03 1.16606e+05 6.00716e+05 -4.14335e+06 9.83383e+03 Potential Pressure (bar) -3.38411e+06 -4.58328e+03 Step Time 6597 6597.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07489e+03 6.08262e+03 1.99105e+04 2.35143e+02 -1.09281e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88518e+03 1.16607e+05 6.00732e+05 -4.14339e+06 9.83383e+03 Potential Pressure (bar) -3.38412e+06 -4.58350e+03 Step Time 6598 6598.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06558e+03 6.07986e+03 1.99106e+04 2.35165e+02 -1.09284e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88571e+03 1.16606e+05 6.00735e+05 -4.14339e+06 9.83386e+03 Potential Pressure (bar) -3.38413e+06 -4.58292e+03 Step Time 6599 6599.00000 Step Time 6600 6600.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06737e+03 6.08089e+03 1.99106e+04 2.35149e+02 -1.09282e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88538e+03 1.16606e+05 6.00739e+05 -4.14340e+06 9.83382e+03 Potential Pressure (bar) -3.38414e+06 -4.58316e+03 Step Time 6601 6601.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06662e+03 6.07987e+03 1.99106e+04 2.35160e+02 -1.09284e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88576e+03 1.16606e+05 6.00742e+05 -4.14341e+06 9.83387e+03 Potential Pressure (bar) -3.38414e+06 -4.58276e+03 Step Time 6602 6602.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06949e+03 6.08143e+03 1.99106e+04 2.35138e+02 -1.09281e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88529e+03 1.16607e+05 6.00745e+05 -4.14342e+06 9.83382e+03 Potential Pressure (bar) -3.38415e+06 -4.58314e+03 Step Time 6603 6603.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06895e+03 6.07999e+03 1.99106e+04 2.35158e+02 -1.09283e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88585e+03 1.16606e+05 6.00749e+05 -4.14343e+06 9.83387e+03 Potential Pressure (bar) -3.38415e+06 -4.58259e+03 Step Time 6604 6604.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07366e+03 6.08239e+03 1.99106e+04 2.35132e+02 -1.09280e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88517e+03 1.16607e+05 6.00753e+05 -4.14344e+06 9.83388e+03 Potential Pressure (bar) -3.38415e+06 -4.58314e+03 Step Time 6605 6605.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07398e+03 6.08043e+03 1.99106e+04 2.35165e+02 -1.09283e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88596e+03 1.16605e+05 6.00757e+05 -4.14344e+06 9.83391e+03 Potential Pressure (bar) -3.38415e+06 -4.58241e+03 Step Time 6606 6606.00000 Step Time 6607 6607.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06526e+03 6.08031e+03 1.99106e+04 2.35142e+02 -1.09281e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88547e+03 1.16606e+05 6.00759e+05 -4.14345e+06 9.83391e+03 Potential Pressure (bar) -3.38417e+06 -4.58275e+03 Step Time 6608 6608.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07886e+03 6.08087e+03 1.99106e+04 2.35149e+02 -1.09283e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88603e+03 1.16605e+05 6.00777e+05 -4.14348e+06 9.83397e+03 Potential Pressure (bar) -3.38417e+06 -4.58206e+03 Step Time 6609 6609.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06702e+03 6.08086e+03 1.99106e+04 2.35119e+02 -1.09279e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88532e+03 1.16606e+05 6.00778e+05 -4.14349e+06 9.83396e+03 Potential Pressure (bar) -3.38419e+06 -4.58258e+03 Step Time 6610 6610.00000 Step Time 6611 6611.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06771e+03 6.07991e+03 1.99107e+04 2.35132e+02 -1.09281e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88574e+03 1.16606e+05 6.00783e+05 -4.14350e+06 9.83395e+03 Potential Pressure (bar) -3.38419e+06 -4.58214e+03 Step Time 6612 6612.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06916e+03 6.08141e+03 1.99106e+04 2.35111e+02 -1.09279e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88523e+03 1.16606e+05 6.00786e+05 -4.14351e+06 9.83397e+03 Potential Pressure (bar) -3.38419e+06 -4.58256e+03 Step Time 6613 6613.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07074e+03 6.08014e+03 1.99107e+04 2.35133e+02 -1.09281e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88583e+03 1.16605e+05 6.00790e+05 -4.14352e+06 9.83399e+03 Potential Pressure (bar) -3.38420e+06 -4.58198e+03 Step Time 6614 6614.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07355e+03 6.08242e+03 1.99106e+04 2.35103e+02 -1.09277e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88510e+03 1.16607e+05 6.00793e+05 -4.14352e+06 9.83395e+03 Potential Pressure (bar) -3.38420e+06 -4.58259e+03 Step Time 6615 6615.00000 Step Time 6616 6616.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06506e+03 6.08000e+03 1.99107e+04 2.35120e+02 -1.09279e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88552e+03 1.16606e+05 6.00795e+05 -4.14353e+06 9.83397e+03 Potential Pressure (bar) -3.38421e+06 -4.58211e+03 Step Time 6617 6617.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07771e+03 6.08324e+03 1.99107e+04 2.35093e+02 -1.09276e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88498e+03 1.16607e+05 6.00809e+05 -4.14357e+06 9.83398e+03 Potential Pressure (bar) -3.38422e+06 -4.58244e+03 Step Time 6618 6618.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06606e+03 6.07990e+03 1.99107e+04 2.35115e+02 -1.09279e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88558e+03 1.16606e+05 6.00812e+05 -4.14357e+06 9.83403e+03 Potential Pressure (bar) -3.38423e+06 -4.58180e+03 Step Time 6619 6619.00000 Step Time 6620 6620.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06799e+03 6.08111e+03 1.99107e+04 2.35096e+02 -1.09277e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88521e+03 1.16606e+05 6.00815e+05 -4.14358e+06 9.83399e+03 Potential Pressure (bar) -3.38423e+06 -4.58208e+03 Step Time 6621 6621.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06752e+03 6.07996e+03 1.99107e+04 2.35113e+02 -1.09279e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88565e+03 1.16605e+05 6.00818e+05 -4.14358e+06 9.83401e+03 Potential Pressure (bar) -3.38424e+06 -4.58163e+03 Step Time 6622 6622.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07072e+03 6.08178e+03 1.99107e+04 2.35089e+02 -1.09276e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88511e+03 1.16606e+05 6.00822e+05 -4.14359e+06 9.83397e+03 Potential Pressure (bar) -3.38424e+06 -4.58207e+03 Step Time 6623 6623.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07072e+03 6.08018e+03 1.99107e+04 2.35113e+02 -1.09279e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88575e+03 1.16605e+05 6.00826e+05 -4.14360e+06 9.83399e+03 Potential Pressure (bar) -3.38425e+06 -4.58146e+03 Step Time 6624 6624.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07616e+03 6.08298e+03 1.99107e+04 2.35077e+02 -1.09274e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88498e+03 1.16607e+05 6.00829e+05 -4.14361e+06 9.83401e+03 Potential Pressure (bar) -3.38425e+06 -4.58213e+03 Step Time 6625 6625.00000 Step Time 6626 6626.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06503e+03 6.08009e+03 1.99107e+04 2.35095e+02 -1.09277e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88542e+03 1.16606e+05 6.00831e+05 -4.14361e+06 9.83400e+03 Potential Pressure (bar) -3.38426e+06 -4.58159e+03 Step Time 6627 6627.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08129e+03 6.08387e+03 1.99107e+04 2.35061e+02 -1.09273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88482e+03 1.16607e+05 6.00856e+05 -4.14367e+06 9.83407e+03 Potential Pressure (bar) -3.38427e+06 -4.58185e+03 Step Time 6628 6628.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06586e+03 6.07994e+03 1.99107e+04 2.35084e+02 -1.09276e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88549e+03 1.16606e+05 6.00858e+05 -4.14367e+06 9.83413e+03 Potential Pressure (bar) -3.38429e+06 -4.58114e+03 Step Time 6629 6629.00000 Step Time 6630 6630.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06928e+03 6.08142e+03 1.99107e+04 2.35060e+02 -1.09273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88508e+03 1.16606e+05 6.00862e+05 -4.14368e+06 9.83410e+03 Potential Pressure (bar) -3.38429e+06 -4.58143e+03 Step Time 6631 6631.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06736e+03 6.07998e+03 1.99107e+04 2.35080e+02 -1.09275e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88556e+03 1.16605e+05 6.00866e+05 -4.14369e+06 9.83412e+03 Potential Pressure (bar) -3.38430e+06 -4.58096e+03 Step Time 6632 6632.00000 Step Time 6633 6633.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06544e+03 6.08039e+03 1.99107e+04 2.35069e+02 -1.09274e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88526e+03 1.16606e+05 6.00868e+05 -4.14369e+06 9.83409e+03 Potential Pressure (bar) -3.38430e+06 -4.58121e+03 Step Time 6634 6634.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06890e+03 6.08005e+03 1.99108e+04 2.35074e+02 -1.09274e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88560e+03 1.16605e+05 6.00877e+05 -4.14371e+06 9.83407e+03 Potential Pressure (bar) -3.38431e+06 -4.58074e+03 Step Time 6635 6635.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06636e+03 6.08070e+03 1.99108e+04 2.35056e+02 -1.09273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88517e+03 1.16606e+05 6.00880e+05 -4.14372e+06 9.83409e+03 Potential Pressure (bar) -3.38431e+06 -4.58108e+03 Step Time 6636 6636.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07172e+03 6.08028e+03 1.99108e+04 2.35075e+02 -1.09275e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88567e+03 1.16605e+05 6.00886e+05 -4.14373e+06 9.83415e+03 Potential Pressure (bar) -3.38431e+06 -4.58057e+03 Step Time 6637 6637.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06858e+03 6.08131e+03 1.99108e+04 2.35048e+02 -1.09272e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88506e+03 1.16606e+05 6.00888e+05 -4.14374e+06 9.83416e+03 Potential Pressure (bar) -3.38432e+06 -4.58104e+03 Step Time 6638 6638.00000 Step Time 6639 6639.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06572e+03 6.07998e+03 1.99108e+04 2.35060e+02 -1.09273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88541e+03 1.16605e+05 6.00891e+05 -4.14374e+06 9.83416e+03 Potential Pressure (bar) -3.38433e+06 -4.58067e+03 Step Time 6640 6640.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07086e+03 6.08182e+03 1.99108e+04 2.35038e+02 -1.09271e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88497e+03 1.16606e+05 6.00896e+05 -4.14376e+06 9.83417e+03 Potential Pressure (bar) -3.38433e+06 -4.58101e+03 Step Time 6641 6641.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06716e+03 6.07999e+03 1.99108e+04 2.35057e+02 -1.09273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88548e+03 1.16605e+05 6.00899e+05 -4.14376e+06 9.83416e+03 Potential Pressure (bar) -3.38434e+06 -4.58048e+03 Step Time 6642 6642.00000 Step Time 6643 6643.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06585e+03 6.08054e+03 1.99108e+04 2.35045e+02 -1.09272e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88516e+03 1.16606e+05 6.00901e+05 -4.14377e+06 9.83414e+03 Potential Pressure (bar) -3.38434e+06 -4.58071e+03 Step Time 6644 6644.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06870e+03 6.08008e+03 1.99108e+04 2.35058e+02 -1.09273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88553e+03 1.16605e+05 6.00908e+05 -4.14378e+06 9.83415e+03 Potential Pressure (bar) -3.38435e+06 -4.58033e+03 Step Time 6645 6645.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06710e+03 6.08092e+03 1.99108e+04 2.35036e+02 -1.09271e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88508e+03 1.16606e+05 6.00910e+05 -4.14379e+06 9.83413e+03 Potential Pressure (bar) -3.38435e+06 -4.58063e+03 Step Time 6646 6646.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07171e+03 6.08031e+03 1.99108e+04 2.35055e+02 -1.09272e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88560e+03 1.16605e+05 6.00916e+05 -4.14380e+06 9.83421e+03 Potential Pressure (bar) -3.38435e+06 -4.58014e+03 Step Time 6647 6647.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06997e+03 6.08165e+03 1.99108e+04 2.35026e+02 -1.09270e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88495e+03 1.16606e+05 6.00918e+05 -4.14381e+06 9.83415e+03 Potential Pressure (bar) -3.38436e+06 -4.58064e+03 Step Time 6648 6648.00000 Step Time 6649 6649.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06554e+03 6.08002e+03 1.99108e+04 2.35040e+02 -1.09271e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88533e+03 1.16605e+05 6.00920e+05 -4.14381e+06 9.83414e+03 Potential Pressure (bar) -3.38437e+06 -4.58025e+03 Step Time 6650 6650.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07284e+03 6.08226e+03 1.99108e+04 2.35015e+02 -1.09269e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88486e+03 1.16606e+05 6.00927e+05 -4.14383e+06 9.83421e+03 Potential Pressure (bar) -3.38437e+06 -4.58059e+03 Step Time 6651 6651.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06692e+03 6.08000e+03 1.99108e+04 2.35036e+02 -1.09271e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88541e+03 1.16605e+05 6.00930e+05 -4.14383e+06 9.83417e+03 Potential Pressure (bar) -3.38438e+06 -4.58006e+03 Step Time 6652 6652.00000 Step Time 6653 6653.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06641e+03 6.08071e+03 1.99108e+04 2.35021e+02 -1.09270e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88507e+03 1.16606e+05 6.00932e+05 -4.14384e+06 9.83419e+03 Potential Pressure (bar) -3.38438e+06 -4.58028e+03 Step Time 6654 6654.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06851e+03 6.08008e+03 1.99109e+04 2.35035e+02 -1.09271e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88547e+03 1.16605e+05 6.00938e+05 -4.14385e+06 9.83415e+03 Potential Pressure (bar) -3.38438e+06 -4.57990e+03 Step Time 6655 6655.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06810e+03 6.08119e+03 1.99108e+04 2.35013e+02 -1.09270e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88498e+03 1.16606e+05 6.00940e+05 -4.14386e+06 9.83418e+03 Potential Pressure (bar) -3.38439e+06 -4.58025e+03 Step Time 6656 6656.00000 Step Time 6657 6657.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06531e+03 6.08005e+03 1.99109e+04 2.35024e+02 -1.09271e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88526e+03 1.16605e+05 6.00943e+05 -4.14386e+06 9.83423e+03 Potential Pressure (bar) -3.38439e+06 -4.57994e+03 Step Time 6658 6658.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06976e+03 6.08158e+03 1.99109e+04 2.35002e+02 -1.09269e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88491e+03 1.16606e+05 6.00949e+05 -4.14388e+06 9.83421e+03 Potential Pressure (bar) -3.38440e+06 -4.58016e+03 Step Time 6659 6659.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06600e+03 6.08000e+03 1.99109e+04 2.35016e+02 -1.09270e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88532e+03 1.16605e+05 6.00952e+05 -4.14388e+06 9.83424e+03 Potential Pressure (bar) -3.38441e+06 -4.57976e+03 Step Time 6660 6660.00000 Step Time 6661 6661.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06597e+03 6.08061e+03 1.99109e+04 2.35007e+02 -1.09269e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88507e+03 1.16606e+05 6.00955e+05 -4.14389e+06 9.83420e+03 Potential Pressure (bar) -3.38441e+06 -4.57994e+03 Step Time 6662 6662.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06683e+03 6.08001e+03 1.99109e+04 2.35016e+02 -1.09270e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88535e+03 1.16605e+05 6.00960e+05 -4.14390e+06 9.83423e+03 Potential Pressure (bar) -3.38441e+06 -4.57960e+03 Step Time 6663 6663.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06700e+03 6.08089e+03 1.99109e+04 2.34998e+02 -1.09268e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88499e+03 1.16606e+05 6.00962e+05 -4.14390e+06 9.83422e+03 Potential Pressure (bar) -3.38442e+06 -4.57988e+03 Step Time 6664 6664.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06851e+03 6.08009e+03 1.99109e+04 2.35014e+02 -1.09270e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88541e+03 1.16605e+05 6.00967e+05 -4.14391e+06 9.83425e+03 Potential Pressure (bar) -3.38442e+06 -4.57946e+03 Step Time 6665 6665.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06914e+03 6.08144e+03 1.99109e+04 2.34991e+02 -1.09267e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88490e+03 1.16606e+05 6.00970e+05 -4.14392e+06 9.83422e+03 Potential Pressure (bar) -3.38442e+06 -4.57985e+03 Step Time 6666 6666.00000 Step Time 6667 6667.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06524e+03 6.08009e+03 1.99109e+04 2.35002e+02 -1.09268e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88519e+03 1.16605e+05 6.00972e+05 -4.14393e+06 9.83421e+03 Potential Pressure (bar) -3.38443e+06 -4.57954e+03 Step Time 6668 6668.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07122e+03 6.08188e+03 1.99109e+04 2.34980e+02 -1.09266e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88482e+03 1.16606e+05 6.00982e+05 -4.14395e+06 9.83420e+03 Potential Pressure (bar) -3.38444e+06 -4.57978e+03 Step Time 6669 6669.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06589e+03 6.08001e+03 1.99109e+04 2.34996e+02 -1.09268e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88525e+03 1.16605e+05 6.00985e+05 -4.14395e+06 9.83423e+03 Potential Pressure (bar) -3.38444e+06 -4.57931e+03 Step Time 6670 6670.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07488e+03 6.08267e+03 1.99109e+04 2.34971e+02 -1.09266e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88471e+03 1.16606e+05 6.00990e+05 -4.14397e+06 9.83428e+03 Potential Pressure (bar) -3.38444e+06 -4.57975e+03 Step Time 6671 6671.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06790e+03 6.08007e+03 1.99109e+04 2.34995e+02 -1.09268e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88534e+03 1.16605e+05 6.00993e+05 -4.14397e+06 9.83428e+03 Potential Pressure (bar) -3.38446e+06 -4.57909e+03 Step Time 6672 6672.00000 Step Time 6673 6673.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06665e+03 6.08079e+03 1.99109e+04 2.34977e+02 -1.09267e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88495e+03 1.16606e+05 6.00995e+05 -4.14398e+06 9.83424e+03 Potential Pressure (bar) -3.38446e+06 -4.57938e+03 Step Time 6674 6674.00000 Step Time 6675 6675.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06543e+03 6.08006e+03 1.99109e+04 2.34986e+02 -1.09267e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88517e+03 1.16605e+05 6.00998e+05 -4.14399e+06 9.83422e+03 Potential Pressure (bar) -3.38447e+06 -4.57914e+03 Step Time 6676 6676.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06761e+03 6.08104e+03 1.99110e+04 2.34966e+02 -1.09266e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88489e+03 1.16606e+05 6.01003e+05 -4.14400e+06 9.83424e+03 Potential Pressure (bar) -3.38447e+06 -4.57933e+03 Step Time 6677 6677.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06604e+03 6.08002e+03 1.99110e+04 2.34981e+02 -1.09267e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88521e+03 1.16605e+05 6.01006e+05 -4.14400e+06 9.83421e+03 Potential Pressure (bar) -3.38447e+06 -4.57901e+03 Step Time 6678 6678.00000 Step Time 6679 6679.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06551e+03 6.08041e+03 1.99110e+04 2.34975e+02 -1.09266e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88501e+03 1.16605e+05 6.01008e+05 -4.14401e+06 9.83425e+03 Potential Pressure (bar) -3.38448e+06 -4.57913e+03 Step Time 6680 6680.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06668e+03 6.08002e+03 1.99110e+04 2.34979e+02 -1.09266e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88523e+03 1.16605e+05 6.01016e+05 -4.14402e+06 9.83429e+03 Potential Pressure (bar) -3.38448e+06 -4.57883e+03 Step Time 6681 6681.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06604e+03 6.08060e+03 1.99110e+04 2.34963e+02 -1.09265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88494e+03 1.16605e+05 6.01018e+05 -4.14403e+06 9.83424e+03 Potential Pressure (bar) -3.38449e+06 -4.57904e+03 Step Time 6682 6682.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06792e+03 6.08009e+03 1.99110e+04 2.34975e+02 -1.09266e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88528e+03 1.16605e+05 6.01024e+05 -4.14404e+06 9.83425e+03 Potential Pressure (bar) -3.38449e+06 -4.57865e+03 Step Time 6683 6683.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06726e+03 6.08094e+03 1.99110e+04 2.34954e+02 -1.09264e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88486e+03 1.16605e+05 6.01026e+05 -4.14405e+06 9.83426e+03 Potential Pressure (bar) -3.38449e+06 -4.57896e+03 Step Time 6684 6684.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07034e+03 6.08027e+03 1.99110e+04 2.34971e+02 -1.09266e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88536e+03 1.16605e+05 6.01031e+05 -4.14405e+06 9.83425e+03 Potential Pressure (bar) -3.38450e+06 -4.57849e+03 Step Time 6685 6685.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06989e+03 6.08161e+03 1.99110e+04 2.34943e+02 -1.09264e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88475e+03 1.16606e+05 6.01034e+05 -4.14407e+06 9.83430e+03 Potential Pressure (bar) -3.38450e+06 -4.57894e+03 Step Time 6686 6686.00000 Step Time 6687 6687.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06545e+03 6.08008e+03 1.99110e+04 2.34958e+02 -1.09265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88510e+03 1.16605e+05 6.01036e+05 -4.14407e+06 9.83432e+03 Potential Pressure (bar) -3.38451e+06 -4.57860e+03 Step Time 6688 6688.00000 Step Time 6689 6689.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06645e+03 6.08072e+03 1.99110e+04 2.34946e+02 -1.09264e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88488e+03 1.16605e+05 6.01039e+05 -4.14408e+06 9.83421e+03 Potential Pressure (bar) -3.38451e+06 -4.57873e+03 Step Time 6690 6690.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06587e+03 6.08005e+03 1.99110e+04 2.34956e+02 -1.09265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88514e+03 1.16605e+05 6.01043e+05 -4.14408e+06 9.83422e+03 Potential Pressure (bar) -3.38452e+06 -4.57847e+03 Step Time 6691 6691.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06745e+03 6.08098e+03 1.99110e+04 2.34941e+02 -1.09263e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88482e+03 1.16605e+05 6.01047e+05 -4.14409e+06 9.83426e+03 Potential Pressure (bar) -3.38452e+06 -4.57866e+03 Step Time 6692 6692.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06684e+03 6.08005e+03 1.99110e+04 2.34956e+02 -1.09265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88518e+03 1.16605e+05 6.01050e+05 -4.14410e+06 9.83428e+03 Potential Pressure (bar) -3.38452e+06 -4.57830e+03 Step Time 6693 6693.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06939e+03 6.08145e+03 1.99110e+04 2.34933e+02 -1.09263e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88473e+03 1.16606e+05 6.01054e+05 -4.14411e+06 9.83425e+03 Potential Pressure (bar) -3.38453e+06 -4.57864e+03 Step Time 6694 6694.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06895e+03 6.08019e+03 1.99110e+04 2.34951e+02 -1.09265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88526e+03 1.16605e+05 6.01058e+05 -4.14412e+06 9.83427e+03 Potential Pressure (bar) -3.38453e+06 -4.57813e+03 Step Time 6695 6695.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07322e+03 6.08232e+03 1.99110e+04 2.34926e+02 -1.09262e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88462e+03 1.16606e+05 6.01061e+05 -4.14413e+06 9.83429e+03 Potential Pressure (bar) -3.38453e+06 -4.57867e+03 Step Time 6696 6696.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07362e+03 6.08058e+03 1.99110e+04 2.34955e+02 -1.09265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88538e+03 1.16604e+05 6.01064e+05 -4.14413e+06 9.83431e+03 Potential Pressure (bar) -3.38454e+06 -4.57792e+03 Step Time 6697 6697.00000 Step Time 6698 6698.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06553e+03 6.08042e+03 1.99110e+04 2.34934e+02 -1.09263e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88490e+03 1.16605e+05 6.01066e+05 -4.14414e+06 9.83428e+03 Potential Pressure (bar) -3.38455e+06 -4.57827e+03 Step Time 6699 6699.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07808e+03 6.08102e+03 1.99111e+04 2.34941e+02 -1.09264e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88544e+03 1.16604e+05 6.01084e+05 -4.14417e+06 9.83427e+03 Potential Pressure (bar) -3.38455e+06 -4.57761e+03 Step Time 6700 6700.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06714e+03 6.08091e+03 1.99111e+04 2.34911e+02 -1.09261e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88476e+03 1.16605e+05 6.01086e+05 -4.14418e+06 9.83422e+03 Potential Pressure (bar) -3.38457e+06 -4.57810e+03 Step Time 6701 6701.00000 Step Time 6702 6702.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06783e+03 6.08010e+03 1.99111e+04 2.34926e+02 -1.09263e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88515e+03 1.16605e+05 6.01091e+05 -4.14419e+06 9.83424e+03 Potential Pressure (bar) -3.38457e+06 -4.57767e+03 Step Time 6703 6703.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06909e+03 6.08140e+03 1.99111e+04 2.34903e+02 -1.09261e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88466e+03 1.16605e+05 6.01094e+05 -4.14420e+06 9.83423e+03 Potential Pressure (bar) -3.38457e+06 -4.57807e+03 Step Time 6704 6704.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07063e+03 6.08030e+03 1.99111e+04 2.34926e+02 -1.09263e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88524e+03 1.16604e+05 6.01097e+05 -4.14420e+06 9.83427e+03 Potential Pressure (bar) -3.38458e+06 -4.57751e+03 Step Time 6705 6705.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07309e+03 6.08231e+03 1.99111e+04 2.34898e+02 -1.09260e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88454e+03 1.16606e+05 6.01100e+05 -4.14421e+06 9.83430e+03 Potential Pressure (bar) -3.38458e+06 -4.57808e+03 Step Time 6706 6706.00000 Step Time 6707 6707.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06534e+03 6.08014e+03 1.99111e+04 2.34915e+02 -1.09261e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88495e+03 1.16605e+05 6.01103e+05 -4.14422e+06 9.83426e+03 Potential Pressure (bar) -3.38459e+06 -4.57763e+03 Step Time 6708 6708.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07696e+03 6.08301e+03 1.99111e+04 2.34881e+02 -1.09259e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88444e+03 1.16606e+05 6.01116e+05 -4.14425e+06 9.83425e+03 Potential Pressure (bar) -3.38460e+06 -4.57796e+03 Step Time 6709 6709.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06630e+03 6.08004e+03 1.99111e+04 2.34904e+02 -1.09261e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88503e+03 1.16605e+05 6.01118e+05 -4.14425e+06 9.83426e+03 Potential Pressure (bar) -3.38461e+06 -4.57735e+03 Step Time 6710 6710.00000 Step Time 6711 6711.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06802e+03 6.08112e+03 1.99111e+04 2.34888e+02 -1.09259e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88466e+03 1.16605e+05 6.01122e+05 -4.14426e+06 9.83427e+03 Potential Pressure (bar) -3.38461e+06 -4.57760e+03 Step Time 6712 6712.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06766e+03 6.08008e+03 1.99111e+04 2.34902e+02 -1.09261e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88509e+03 1.16604e+05 6.01125e+05 -4.14426e+06 9.83429e+03 Potential Pressure (bar) -3.38462e+06 -4.57721e+03 Step Time 6713 6713.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07049e+03 6.08173e+03 1.99111e+04 2.34879e+02 -1.09258e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88456e+03 1.16605e+05 6.01128e+05 -4.14428e+06 9.83428e+03 Potential Pressure (bar) -3.38462e+06 -4.57759e+03 Step Time 6714 6714.00000 Step Time 6715 6715.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06531e+03 6.08020e+03 1.99111e+04 2.34891e+02 -1.09259e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88487e+03 1.16605e+05 6.01130e+05 -4.14428e+06 9.83422e+03 Potential Pressure (bar) -3.38462e+06 -4.57727e+03 Step Time 6716 6716.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07284e+03 6.08219e+03 1.99111e+04 2.34851e+02 -1.09257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88444e+03 1.16605e+05 6.01153e+05 -4.14433e+06 9.83422e+03 Potential Pressure (bar) -3.38465e+06 -4.57725e+03 Step Time 6717 6717.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06562e+03 6.08009e+03 1.99111e+04 2.34874e+02 -1.09258e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88489e+03 1.16605e+05 6.01155e+05 -4.14433e+06 9.83425e+03 Potential Pressure (bar) -3.38466e+06 -4.57684e+03 Step Time 6718 6718.00000 Step Time 6719 6719.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06737e+03 6.08092e+03 1.99112e+04 2.34861e+02 -1.09257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88461e+03 1.16605e+05 6.01160e+05 -4.14435e+06 9.83426e+03 Potential Pressure (bar) -3.38466e+06 -4.57701e+03 Step Time 6720 6720.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06624e+03 6.08007e+03 1.99112e+04 2.34872e+02 -1.09258e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88493e+03 1.16605e+05 6.01163e+05 -4.14435e+06 9.83427e+03 Potential Pressure (bar) -3.38466e+06 -4.57670e+03 Step Time 6721 6721.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06893e+03 6.08133e+03 1.99112e+04 2.34850e+02 -1.09257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88454e+03 1.16605e+05 6.01167e+05 -4.14436e+06 9.83422e+03 Potential Pressure (bar) -3.38467e+06 -4.57698e+03 Step Time 6722 6722.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06768e+03 6.08010e+03 1.99112e+04 2.34870e+02 -1.09258e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88501e+03 1.16604e+05 6.01170e+05 -4.14436e+06 9.83428e+03 Potential Pressure (bar) -3.38467e+06 -4.57652e+03 Step Time 6723 6723.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07198e+03 6.08203e+03 1.99112e+04 2.34843e+02 -1.09256e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88444e+03 1.16605e+05 6.01174e+05 -4.14438e+06 9.83423e+03 Potential Pressure (bar) -3.38467e+06 -4.57695e+03 Step Time 6724 6724.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07091e+03 6.08032e+03 1.99112e+04 2.34871e+02 -1.09257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88511e+03 1.16604e+05 6.01177e+05 -4.14438e+06 9.83422e+03 Potential Pressure (bar) -3.38468e+06 -4.57635e+03 Step Time 6725 6725.00000 Step Time 6726 6726.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06570e+03 6.08044e+03 1.99112e+04 2.34851e+02 -1.09257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88470e+03 1.16605e+05 6.01178e+05 -4.14439e+06 9.83421e+03 Potential Pressure (bar) -3.38469e+06 -4.57662e+03 Step Time 6727 6727.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07411e+03 6.08061e+03 1.99112e+04 2.34867e+02 -1.09256e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88515e+03 1.16604e+05 6.01192e+05 -4.14442e+06 9.83422e+03 Potential Pressure (bar) -3.38469e+06 -4.57608e+03 Step Time 6728 6728.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06710e+03 6.08086e+03 1.99112e+04 2.34834e+02 -1.09255e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88457e+03 1.16605e+05 6.01194e+05 -4.14442e+06 9.83421e+03 Potential Pressure (bar) -3.38471e+06 -4.57648e+03 Step Time 6729 6729.00000 Step Time 6730 6730.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06690e+03 6.08006e+03 1.99112e+04 2.34847e+02 -1.09256e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88491e+03 1.16604e+05 6.01198e+05 -4.14443e+06 9.83418e+03 Potential Pressure (bar) -3.38471e+06 -4.57614e+03 Step Time 6731 6731.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06869e+03 6.08128e+03 1.99112e+04 2.34827e+02 -1.09255e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88449e+03 1.16605e+05 6.01201e+05 -4.14444e+06 9.83421e+03 Potential Pressure (bar) -3.38471e+06 -4.57646e+03 Step Time 6732 6732.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06882e+03 6.08017e+03 1.99112e+04 2.34844e+02 -1.09256e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88499e+03 1.16604e+05 6.01204e+05 -4.14445e+06 9.83419e+03 Potential Pressure (bar) -3.38472e+06 -4.57597e+03 Step Time 6733 6733.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07189e+03 6.08202e+03 1.99112e+04 2.34820e+02 -1.09254e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88438e+03 1.16605e+05 6.01208e+05 -4.14446e+06 9.83420e+03 Potential Pressure (bar) -3.38472e+06 -4.57645e+03 Step Time 6734 6734.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07294e+03 6.08050e+03 1.99112e+04 2.34848e+02 -1.09256e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88510e+03 1.16604e+05 6.01212e+05 -4.14446e+06 9.83417e+03 Potential Pressure (bar) -3.38472e+06 -4.57579e+03 Step Time 6735 6735.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07833e+03 6.08341e+03 1.99112e+04 2.34807e+02 -1.09254e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88423e+03 1.16605e+05 6.01215e+05 -4.14447e+06 9.83426e+03 Potential Pressure (bar) -3.38472e+06 -4.57653e+03 Step Time 6736 6736.00000 Step Time 6737 6737.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06542e+03 6.08016e+03 1.99112e+04 2.34829e+02 -1.09255e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88473e+03 1.16605e+05 6.01216e+05 -4.14447e+06 9.83422e+03 Potential Pressure (bar) -3.38473e+06 -4.57596e+03 Step Time 6738 6738.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08449e+03 6.08450e+03 1.99112e+04 2.34789e+02 -1.09253e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88408e+03 1.16606e+05 6.01235e+05 -4.14452e+06 9.83421e+03 Potential Pressure (bar) -3.38474e+06 -4.57635e+03 Step Time 6739 6739.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06664e+03 6.08003e+03 1.99113e+04 2.34822e+02 -1.09254e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88481e+03 1.16604e+05 6.01237e+05 -4.14452e+06 9.83421e+03 Potential Pressure (bar) -3.38476e+06 -4.57557e+03 Step Time 6740 6740.00000 Step Time 6741 6741.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07015e+03 6.08161e+03 1.99113e+04 2.34799e+02 -1.09253e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88437e+03 1.16605e+05 6.01241e+05 -4.14453e+06 9.83420e+03 Potential Pressure (bar) -3.38476e+06 -4.57591e+03 Step Time 6742 6742.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06857e+03 6.08011e+03 1.99113e+04 2.34822e+02 -1.09254e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88489e+03 1.16604e+05 6.01244e+05 -4.14454e+06 9.83420e+03 Potential Pressure (bar) -3.38477e+06 -4.57539e+03 Step Time 6743 6743.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07417e+03 6.08252e+03 1.99113e+04 2.34790e+02 -1.09252e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88426e+03 1.16605e+05 6.01248e+05 -4.14455e+06 9.83416e+03 Potential Pressure (bar) -3.38477e+06 -4.57594e+03 Step Time 6744 6744.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07292e+03 6.08045e+03 1.99113e+04 2.34821e+02 -1.09254e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88502e+03 1.16604e+05 6.01251e+05 -4.14455e+06 9.83417e+03 Potential Pressure (bar) -3.38477e+06 -4.57520e+03 Step Time 6745 6745.00000 Step Time 6746 6746.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06587e+03 6.08050e+03 1.99113e+04 2.34798e+02 -1.09253e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88455e+03 1.16605e+05 6.01253e+05 -4.14456e+06 9.83408e+03 Potential Pressure (bar) -3.38478e+06 -4.57554e+03 Step Time 6747 6747.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07716e+03 6.08084e+03 1.99113e+04 2.34812e+02 -1.09254e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88507e+03 1.16604e+05 6.01266e+05 -4.14459e+06 9.83413e+03 Potential Pressure (bar) -3.38478e+06 -4.57494e+03 Step Time 6748 6748.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06768e+03 6.08104e+03 1.99113e+04 2.34783e+02 -1.09252e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88441e+03 1.16605e+05 6.01268e+05 -4.14459e+06 9.83412e+03 Potential Pressure (bar) -3.38480e+06 -4.57543e+03 Step Time 6749 6749.00000 Step Time 6750 6750.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06754e+03 6.08003e+03 1.99113e+04 2.34796e+02 -1.09253e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88481e+03 1.16604e+05 6.01272e+05 -4.14460e+06 9.83414e+03 Potential Pressure (bar) -3.38480e+06 -4.57502e+03 Step Time 6751 6751.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06980e+03 6.08156e+03 1.99113e+04 2.34773e+02 -1.09251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88432e+03 1.16605e+05 6.01275e+05 -4.14461e+06 9.83414e+03 Potential Pressure (bar) -3.38480e+06 -4.57543e+03 Step Time 6752 6752.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07011e+03 6.08018e+03 1.99113e+04 2.34794e+02 -1.09253e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88490e+03 1.16604e+05 6.01279e+05 -4.14461e+06 9.83414e+03 Potential Pressure (bar) -3.38481e+06 -4.57486e+03 Step Time 6753 6753.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07405e+03 6.08253e+03 1.99113e+04 2.34764e+02 -1.09250e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88420e+03 1.16605e+05 6.01282e+05 -4.14462e+06 9.83414e+03 Potential Pressure (bar) -3.38481e+06 -4.57543e+03 Step Time 6754 6754.00000 Step Time 6755 6755.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06544e+03 6.08017e+03 1.99113e+04 2.34778e+02 -1.09252e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88460e+03 1.16604e+05 6.01284e+05 -4.14462e+06 9.83409e+03 Potential Pressure (bar) -3.38482e+06 -4.57499e+03 Step Time 6756 6756.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07806e+03 6.08319e+03 1.99113e+04 2.34751e+02 -1.09250e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88409e+03 1.16605e+05 6.01303e+05 -4.14467e+06 9.83401e+03 Potential Pressure (bar) -3.38483e+06 -4.57519e+03 Step Time 6757 6757.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06616e+03 6.08004e+03 1.99114e+04 2.34775e+02 -1.09251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88466e+03 1.16604e+05 6.01305e+05 -4.14467e+06 9.83406e+03 Potential Pressure (bar) -3.38484e+06 -4.57462e+03 Step Time 6758 6758.00000 Step Time 6759 6759.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06869e+03 6.08121e+03 1.99114e+04 2.34752e+02 -1.09250e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88430e+03 1.16605e+05 6.01309e+05 -4.14468e+06 9.83400e+03 Potential Pressure (bar) -3.38484e+06 -4.57485e+03 Step Time 6760 6760.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06735e+03 6.08005e+03 1.99114e+04 2.34770e+02 -1.09251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88472e+03 1.16604e+05 6.01312e+05 -4.14468e+06 9.83409e+03 Potential Pressure (bar) -3.38485e+06 -4.57445e+03 Step Time 6761 6761.00000 Step Time 6762 6762.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06574e+03 6.08037e+03 1.99114e+04 2.34757e+02 -1.09250e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88446e+03 1.16604e+05 6.01314e+05 -4.14469e+06 9.83406e+03 Potential Pressure (bar) -3.38485e+06 -4.57463e+03 Step Time 6763 6763.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06856e+03 6.08014e+03 1.99114e+04 2.34762e+02 -1.09251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88476e+03 1.16604e+05 6.01324e+05 -4.14471e+06 9.83404e+03 Potential Pressure (bar) -3.38486e+06 -4.57424e+03 Step Time 6764 6764.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06642e+03 6.08062e+03 1.99114e+04 2.34745e+02 -1.09249e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88439e+03 1.16604e+05 6.01326e+05 -4.14472e+06 9.83405e+03 Potential Pressure (bar) -3.38487e+06 -4.57447e+03 Step Time 6765 6765.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07088e+03 6.08028e+03 1.99114e+04 2.34756e+02 -1.09251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88481e+03 1.16604e+05 6.01333e+05 -4.14473e+06 9.83402e+03 Potential Pressure (bar) -3.38487e+06 -4.57406e+03 Step Time 6766 6766.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06813e+03 6.08109e+03 1.99114e+04 2.34732e+02 -1.09248e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88428e+03 1.16605e+05 6.01335e+05 -4.14474e+06 9.83401e+03 Potential Pressure (bar) -3.38488e+06 -4.57445e+03 Step Time 6767 6767.00000 Step Time 6768 6768.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06602e+03 6.08003e+03 1.99114e+04 2.34744e+02 -1.09250e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88459e+03 1.16604e+05 6.01338e+05 -4.14474e+06 9.83402e+03 Potential Pressure (bar) -3.38488e+06 -4.57413e+03 Step Time 6769 6769.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06990e+03 6.08151e+03 1.99114e+04 2.34725e+02 -1.09248e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88421e+03 1.16605e+05 6.01343e+05 -4.14475e+06 9.83397e+03 Potential Pressure (bar) -3.38488e+06 -4.57439e+03 Step Time 6770 6770.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06722e+03 6.08001e+03 1.99114e+04 2.34742e+02 -1.09250e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88466e+03 1.16604e+05 6.01346e+05 -4.14476e+06 9.83402e+03 Potential Pressure (bar) -3.38489e+06 -4.57394e+03 Step Time 6771 6771.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07319e+03 6.08227e+03 1.99114e+04 2.34714e+02 -1.09247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88410e+03 1.16605e+05 6.01350e+05 -4.14477e+06 9.83401e+03 Potential Pressure (bar) -3.38489e+06 -4.57441e+03 Step Time 6772 6772.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07006e+03 6.08017e+03 1.99114e+04 2.34742e+02 -1.09250e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88476e+03 1.16604e+05 6.01354e+05 -4.14477e+06 9.83402e+03 Potential Pressure (bar) -3.38489e+06 -4.57378e+03 Step Time 6773 6773.00000 Step Time 6774 6774.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06615e+03 6.08054e+03 1.99114e+04 2.34724e+02 -1.09248e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88436e+03 1.16604e+05 6.01355e+05 -4.14478e+06 9.83401e+03 Potential Pressure (bar) -3.38490e+06 -4.57405e+03 Step Time 6775 6775.00000 Step Time 6776 6776.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06641e+03 6.07998e+03 1.99114e+04 2.34731e+02 -1.09249e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88459e+03 1.16604e+05 6.01360e+05 -4.14479e+06 9.83399e+03 Potential Pressure (bar) -3.38491e+06 -4.57377e+03 Step Time 6777 6777.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06685e+03 6.08075e+03 1.99114e+04 2.34719e+02 -1.09247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88430e+03 1.16604e+05 6.01362e+05 -4.14480e+06 9.83396e+03 Potential Pressure (bar) -3.38491e+06 -4.57399e+03 Step Time 6778 6778.00000 Step Time 6779 6779.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06550e+03 6.08011e+03 1.99115e+04 2.34724e+02 -1.09248e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88447e+03 1.16604e+05 6.01364e+05 -4.14480e+06 9.83400e+03 Potential Pressure (bar) -3.38491e+06 -4.57382e+03 Step Time 6780 6780.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06750e+03 6.08094e+03 1.99114e+04 2.34705e+02 -1.09247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88424e+03 1.16604e+05 6.01372e+05 -4.14482e+06 9.83388e+03 Potential Pressure (bar) -3.38492e+06 -4.57386e+03 Step Time 6781 6781.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06565e+03 6.08005e+03 1.99115e+04 2.34713e+02 -1.09248e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88448e+03 1.16604e+05 6.01375e+05 -4.14483e+06 9.83395e+03 Potential Pressure (bar) -3.38493e+06 -4.57365e+03 Step Time 6782 6782.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06872e+03 6.08122e+03 1.99115e+04 2.34701e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88418e+03 1.16604e+05 6.01380e+05 -4.14484e+06 9.83392e+03 Potential Pressure (bar) -3.38493e+06 -4.57382e+03 Step Time 6783 6783.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06623e+03 6.07998e+03 1.99115e+04 2.34712e+02 -1.09248e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88453e+03 1.16604e+05 6.01383e+05 -4.14484e+06 9.83395e+03 Potential Pressure (bar) -3.38494e+06 -4.57343e+03 Step Time 6784 6784.00000 Step Time 6785 6785.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06605e+03 6.08048e+03 1.99115e+04 2.34702e+02 -1.09247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88431e+03 1.16604e+05 6.01385e+05 -4.14485e+06 9.83393e+03 Potential Pressure (bar) -3.38494e+06 -4.57361e+03 Step Time 6786 6786.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06686e+03 6.07998e+03 1.99115e+04 2.34707e+02 -1.09248e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88455e+03 1.16604e+05 6.01391e+05 -4.14486e+06 9.83395e+03 Potential Pressure (bar) -3.38494e+06 -4.57330e+03 Step Time 6787 6787.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06676e+03 6.08069e+03 1.99115e+04 2.34690e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88424e+03 1.16604e+05 6.01393e+05 -4.14487e+06 9.83393e+03 Potential Pressure (bar) -3.38495e+06 -4.57353e+03 Step Time 6788 6788.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06815e+03 6.08003e+03 1.99115e+04 2.34707e+02 -1.09248e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88461e+03 1.16604e+05 6.01398e+05 -4.14487e+06 9.83393e+03 Potential Pressure (bar) -3.38495e+06 -4.57316e+03 Step Time 6789 6789.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06828e+03 6.08111e+03 1.99115e+04 2.34682e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88416e+03 1.16604e+05 6.01400e+05 -4.14488e+06 9.83392e+03 Potential Pressure (bar) -3.38496e+06 -4.57350e+03 Step Time 6790 6790.00000 Step Time 6791 6791.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06562e+03 6.08006e+03 1.99115e+04 2.34694e+02 -1.09247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88442e+03 1.16604e+05 6.01403e+05 -4.14488e+06 9.83391e+03 Potential Pressure (bar) -3.38496e+06 -4.57321e+03 Step Time 6792 6792.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06973e+03 6.08148e+03 1.99115e+04 2.34674e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88409e+03 1.16604e+05 6.01410e+05 -4.14490e+06 9.83389e+03 Potential Pressure (bar) -3.38497e+06 -4.57342e+03 Step Time 6793 6793.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06614e+03 6.07998e+03 1.99115e+04 2.34689e+02 -1.09247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88447e+03 1.16604e+05 6.01412e+05 -4.14491e+06 9.83387e+03 Potential Pressure (bar) -3.38497e+06 -4.57300e+03 Step Time 6794 6794.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07235e+03 6.08207e+03 1.99115e+04 2.34665e+02 -1.09245e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88401e+03 1.16605e+05 6.01418e+05 -4.14492e+06 9.83384e+03 Potential Pressure (bar) -3.38497e+06 -4.57340e+03 Step Time 6795 6795.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06770e+03 6.07999e+03 1.99115e+04 2.34686e+02 -1.09247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88454e+03 1.16604e+05 6.01420e+05 -4.14493e+06 9.83388e+03 Potential Pressure (bar) -3.38498e+06 -4.57284e+03 Step Time 6796 6796.00000 Step Time 6797 6797.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06650e+03 6.08062e+03 1.99115e+04 2.34669e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88420e+03 1.16604e+05 6.01422e+05 -4.14493e+06 9.83383e+03 Potential Pressure (bar) -3.38499e+06 -4.57309e+03 Step Time 6798 6798.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06939e+03 6.08005e+03 1.99115e+04 2.34685e+02 -1.09247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88460e+03 1.16603e+05 6.01428e+05 -4.14494e+06 9.83385e+03 Potential Pressure (bar) -3.38499e+06 -4.57265e+03 Step Time 6799 6799.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06799e+03 6.08105e+03 1.99115e+04 2.34660e+02 -1.09245e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88411e+03 1.16604e+05 6.01431e+05 -4.14495e+06 9.83385e+03 Potential Pressure (bar) -3.38500e+06 -4.57305e+03 Step Time 6800 6800.00000 Step Time 6801 6801.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06584e+03 6.08000e+03 1.99115e+04 2.34673e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88440e+03 1.16604e+05 6.01433e+05 -4.14495e+06 9.83378e+03 Potential Pressure (bar) -3.38500e+06 -4.57274e+03 Step Time 6802 6802.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06949e+03 6.08142e+03 1.99115e+04 2.34653e+02 -1.09244e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88405e+03 1.16604e+05 6.01438e+05 -4.14497e+06 9.83379e+03 Potential Pressure (bar) -3.38500e+06 -4.57302e+03 Step Time 6803 6803.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06668e+03 6.07994e+03 1.99116e+04 2.34668e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88445e+03 1.16604e+05 6.01441e+05 -4.14497e+06 9.83374e+03 Potential Pressure (bar) -3.38501e+06 -4.57259e+03 Step Time 6804 6804.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07228e+03 6.08205e+03 1.99116e+04 2.34645e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88396e+03 1.16605e+05 6.01445e+05 -4.14499e+06 9.83377e+03 Potential Pressure (bar) -3.38501e+06 -4.57297e+03 Step Time 6805 6805.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06879e+03 6.08002e+03 1.99116e+04 2.34665e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88454e+03 1.16603e+05 6.01449e+05 -4.14499e+06 9.83375e+03 Potential Pressure (bar) -3.38501e+06 -4.57240e+03 Step Time 6806 6806.00000 Step Time 6807 6807.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06624e+03 6.08052e+03 1.99116e+04 2.34650e+02 -1.09245e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88418e+03 1.16604e+05 6.01450e+05 -4.14499e+06 9.83373e+03 Potential Pressure (bar) -3.38502e+06 -4.57265e+03 Step Time 6808 6808.00000 Step Time 6809 6809.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06611e+03 6.07997e+03 1.99116e+04 2.34656e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88438e+03 1.16604e+05 6.01454e+05 -4.14500e+06 9.83374e+03 Potential Pressure (bar) -3.38502e+06 -4.57241e+03 Step Time 6810 6810.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06688e+03 6.08072e+03 1.99116e+04 2.34643e+02 -1.09244e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88413e+03 1.16604e+05 6.01457e+05 -4.14501e+06 9.83374e+03 Potential Pressure (bar) -3.38503e+06 -4.57257e+03 Step Time 6811 6811.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06682e+03 6.07995e+03 1.99116e+04 2.34654e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88442e+03 1.16604e+05 6.01461e+05 -4.14501e+06 9.83370e+03 Potential Pressure (bar) -3.38503e+06 -4.57226e+03 Step Time 6812 6812.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06814e+03 6.08106e+03 1.99116e+04 2.34636e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88405e+03 1.16604e+05 6.01464e+05 -4.14502e+06 9.83371e+03 Potential Pressure (bar) -3.38503e+06 -4.57255e+03 Step Time 6813 6813.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06835e+03 6.07999e+03 1.99116e+04 2.34654e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88449e+03 1.16604e+05 6.01467e+05 -4.14503e+06 9.83372e+03 Potential Pressure (bar) -3.38504e+06 -4.57210e+03 Step Time 6814 6814.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07068e+03 6.08166e+03 1.99116e+04 2.34631e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88395e+03 1.16604e+05 6.01470e+05 -4.14504e+06 9.83369e+03 Potential Pressure (bar) -3.38504e+06 -4.57256e+03 Step Time 6815 6815.00000 Step Time 6816 6816.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06557e+03 6.08009e+03 1.99116e+04 2.34644e+02 -1.09245e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88427e+03 1.16604e+05 6.01472e+05 -4.14504e+06 9.83370e+03 Potential Pressure (bar) -3.38505e+06 -4.57221e+03 Step Time 6817 6817.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07307e+03 6.08211e+03 1.99116e+04 2.34603e+02 -1.09241e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88386e+03 1.16604e+05 6.01489e+05 -4.14508e+06 9.83367e+03 Potential Pressure (bar) -3.38506e+06 -4.57236e+03 Step Time 6818 6818.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06602e+03 6.07996e+03 1.99116e+04 2.34624e+02 -1.09244e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88431e+03 1.16604e+05 6.01491e+05 -4.14508e+06 9.83368e+03 Potential Pressure (bar) -3.38507e+06 -4.57189e+03 Step Time 6819 6819.00000 Step Time 6820 6820.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06747e+03 6.08084e+03 1.99116e+04 2.34614e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88403e+03 1.16604e+05 6.01494e+05 -4.14509e+06 9.83360e+03 Potential Pressure (bar) -3.38507e+06 -4.57206e+03 Step Time 6821 6821.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06673e+03 6.07992e+03 1.99116e+04 2.34626e+02 -1.09244e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88436e+03 1.16604e+05 6.01498e+05 -4.14510e+06 9.83367e+03 Potential Pressure (bar) -3.38508e+06 -4.57172e+03 Step Time 6822 6822.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06906e+03 6.08125e+03 1.99116e+04 2.34603e+02 -1.09242e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88395e+03 1.16604e+05 6.01502e+05 -4.14511e+06 9.83364e+03 Potential Pressure (bar) -3.38508e+06 -4.57203e+03 Step Time 6823 6823.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06836e+03 6.07995e+03 1.99116e+04 2.34625e+02 -1.09245e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88443e+03 1.16603e+05 6.01505e+05 -4.14511e+06 9.83365e+03 Potential Pressure (bar) -3.38508e+06 -4.57155e+03 Step Time 6824 6824.00000 Step Time 6825 6825.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06579e+03 6.08027e+03 1.99116e+04 2.34613e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88414e+03 1.16604e+05 6.01506e+05 -4.14512e+06 9.83361e+03 Potential Pressure (bar) -3.38509e+06 -4.57176e+03 Step Time 6826 6826.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06996e+03 6.08005e+03 1.99117e+04 2.34612e+02 -1.09244e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88446e+03 1.16603e+05 6.01520e+05 -4.14515e+06 9.83361e+03 Potential Pressure (bar) -3.38510e+06 -4.57130e+03 Step Time 6827 6827.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06652e+03 6.08054e+03 1.99117e+04 2.34594e+02 -1.09242e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88404e+03 1.16604e+05 6.01522e+05 -4.14515e+06 9.83357e+03 Potential Pressure (bar) -3.38511e+06 -4.57158e+03 Step Time 6828 6828.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07291e+03 6.08028e+03 1.99117e+04 2.34614e+02 -1.09244e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88454e+03 1.16603e+05 6.01530e+05 -4.14517e+06 9.83348e+03 Potential Pressure (bar) -3.38511e+06 -4.57111e+03 Step Time 6829 6829.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06845e+03 6.08108e+03 1.99117e+04 2.34583e+02 -1.09241e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88393e+03 1.16604e+05 6.01531e+05 -4.14518e+06 9.83354e+03 Potential Pressure (bar) -3.38512e+06 -4.57158e+03 Step Time 6830 6830.00000 Step Time 6831 6831.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06647e+03 6.07992e+03 1.99117e+04 2.34597e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88429e+03 1.16603e+05 6.01534e+05 -4.14518e+06 9.83349e+03 Potential Pressure (bar) -3.38512e+06 -4.57120e+03 Step Time 6832 6832.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07051e+03 6.08156e+03 1.99117e+04 2.34574e+02 -1.09241e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88384e+03 1.16604e+05 6.01539e+05 -4.14519e+06 9.83350e+03 Potential Pressure (bar) -3.38513e+06 -4.57154e+03 Step Time 6833 6833.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06809e+03 6.07994e+03 1.99117e+04 2.34595e+02 -1.09244e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88436e+03 1.16603e+05 6.01542e+05 -4.14519e+06 9.83347e+03 Potential Pressure (bar) -3.38513e+06 -4.57103e+03 Step Time 6834 6834.00000 Step Time 6835 6835.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06610e+03 6.08038e+03 1.99117e+04 2.34577e+02 -1.09242e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88404e+03 1.16604e+05 6.01544e+05 -4.14520e+06 9.83346e+03 Potential Pressure (bar) -3.38514e+06 -4.57124e+03 Step Time 6836 6836.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06973e+03 6.08003e+03 1.99117e+04 2.34589e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88440e+03 1.16603e+05 6.01552e+05 -4.14522e+06 9.83341e+03 Potential Pressure (bar) -3.38514e+06 -4.57083e+03 Step Time 6837 6837.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06715e+03 6.08073e+03 1.99117e+04 2.34568e+02 -1.09241e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88394e+03 1.16604e+05 6.01554e+05 -4.14522e+06 9.83338e+03 Potential Pressure (bar) -3.38515e+06 -4.57115e+03 Step Time 6838 6838.00000 Step Time 6839 6839.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06614e+03 6.07991e+03 1.99117e+04 2.34579e+02 -1.09242e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88421e+03 1.16603e+05 6.01556e+05 -4.14523e+06 9.83341e+03 Potential Pressure (bar) -3.38515e+06 -4.57089e+03 Step Time 6840 6840.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06829e+03 6.08100e+03 1.99117e+04 2.34561e+02 -1.09240e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88388e+03 1.16604e+05 6.01560e+05 -4.14524e+06 9.83343e+03 Potential Pressure (bar) -3.38515e+06 -4.57112e+03 Step Time 6841 6841.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06705e+03 6.07989e+03 1.99117e+04 2.34577e+02 -1.09242e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88426e+03 1.16603e+05 6.01563e+05 -4.14524e+06 9.83339e+03 Potential Pressure (bar) -3.38516e+06 -4.57073e+03 Step Time 6842 6842.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07045e+03 6.08153e+03 1.99117e+04 2.34555e+02 -1.09240e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88380e+03 1.16604e+05 6.01567e+05 -4.14525e+06 9.83345e+03 Potential Pressure (bar) -3.38516e+06 -4.57110e+03 Step Time 6843 6843.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06915e+03 6.07997e+03 1.99118e+04 2.34576e+02 -1.09242e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88435e+03 1.16603e+05 6.01570e+05 -4.14526e+06 9.83344e+03 Potential Pressure (bar) -3.38516e+06 -4.57056e+03 Step Time 6844 6844.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07464e+03 6.08250e+03 1.99117e+04 2.34546e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88368e+03 1.16604e+05 6.01573e+05 -4.14527e+06 9.83346e+03 Potential Pressure (bar) -3.38516e+06 -4.57113e+03 Step Time 6845 6845.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07383e+03 6.08032e+03 1.99118e+04 2.34576e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88448e+03 1.16603e+05 6.01577e+05 -4.14527e+06 9.83343e+03 Potential Pressure (bar) -3.38517e+06 -4.57035e+03 Step Time 6846 6846.00000 Step Time 6847 6847.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06605e+03 6.08036e+03 1.99117e+04 2.34553e+02 -1.09241e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88399e+03 1.16604e+05 6.01579e+05 -4.14528e+06 9.83335e+03 Potential Pressure (bar) -3.38518e+06 -4.57070e+03 Step Time 6848 6848.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07840e+03 6.08075e+03 1.99118e+04 2.34568e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88455e+03 1.16603e+05 6.01591e+05 -4.14530e+06 9.83331e+03 Potential Pressure (bar) -3.38518e+06 -4.57010e+03 Step Time 6849 6849.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06792e+03 6.08089e+03 1.99118e+04 2.34536e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88385e+03 1.16604e+05 6.01593e+05 -4.14531e+06 9.83330e+03 Potential Pressure (bar) -3.38520e+06 -4.57059e+03 Step Time 6850 6850.00000 Step Time 6851 6851.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06800e+03 6.07989e+03 1.99118e+04 2.34551e+02 -1.09241e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88425e+03 1.16603e+05 6.01597e+05 -4.14532e+06 9.83326e+03 Potential Pressure (bar) -3.38520e+06 -4.57017e+03 Step Time 6852 6852.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07009e+03 6.08143e+03 1.99118e+04 2.34528e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88375e+03 1.16604e+05 6.01600e+05 -4.14533e+06 9.83328e+03 Potential Pressure (bar) -3.38520e+06 -4.57061e+03 Step Time 6853 6853.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07080e+03 6.08006e+03 1.99118e+04 2.34550e+02 -1.09242e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88434e+03 1.16603e+05 6.01604e+05 -4.14533e+06 9.83331e+03 Potential Pressure (bar) -3.38520e+06 -4.57000e+03 Step Time 6854 6854.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07449e+03 6.08243e+03 1.99118e+04 2.34519e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88363e+03 1.16604e+05 6.01607e+05 -4.14534e+06 9.83325e+03 Potential Pressure (bar) -3.38520e+06 -4.57062e+03 Step Time 6855 6855.00000 Step Time 6856 6856.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06567e+03 6.07999e+03 1.99118e+04 2.34534e+02 -1.09240e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88405e+03 1.16603e+05 6.01609e+05 -4.14534e+06 9.83323e+03 Potential Pressure (bar) -3.38522e+06 -4.57017e+03 Step Time 6857 6857.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07866e+03 6.08325e+03 1.99118e+04 2.34502e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88351e+03 1.16604e+05 6.01626e+05 -4.14539e+06 9.83317e+03 Potential Pressure (bar) -3.38522e+06 -4.57046e+03 Step Time 6858 6858.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06650e+03 6.07984e+03 1.99118e+04 2.34525e+02 -1.09240e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88412e+03 1.16603e+05 6.01628e+05 -4.14539e+06 9.83313e+03 Potential Pressure (bar) -3.38524e+06 -4.56980e+03 Step Time 6859 6859.00000 Step Time 6860 6860.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06888e+03 6.08114e+03 1.99118e+04 2.34506e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88375e+03 1.16604e+05 6.01631e+05 -4.14540e+06 9.83314e+03 Potential Pressure (bar) -3.38524e+06 -4.57007e+03 Step Time 6861 6861.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06782e+03 6.07985e+03 1.99118e+04 2.34521e+02 -1.09241e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88418e+03 1.16603e+05 6.01634e+05 -4.14540e+06 9.83313e+03 Potential Pressure (bar) -3.38525e+06 -4.56966e+03 Step Time 6862 6862.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07165e+03 6.08179e+03 1.99118e+04 2.34498e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88365e+03 1.16604e+05 6.01638e+05 -4.14541e+06 9.83317e+03 Potential Pressure (bar) -3.38525e+06 -4.57008e+03 Step Time 6863 6863.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07077e+03 6.08002e+03 1.99118e+04 2.34524e+02 -1.09241e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88429e+03 1.16603e+05 6.01641e+05 -4.14542e+06 9.83314e+03 Potential Pressure (bar) -3.38525e+06 -4.56949e+03 Step Time 6864 6864.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07707e+03 6.08299e+03 1.99118e+04 2.34489e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88351e+03 1.16604e+05 6.01644e+05 -4.14543e+06 9.83313e+03 Potential Pressure (bar) -3.38525e+06 -4.57014e+03 Step Time 6865 6865.00000 Step Time 6866 6866.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06566e+03 6.08003e+03 1.99118e+04 2.34505e+02 -1.09240e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88396e+03 1.16603e+05 6.01646e+05 -4.14543e+06 9.83311e+03 Potential Pressure (bar) -3.38526e+06 -4.56965e+03 Step Time 6867 6867.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08231e+03 6.08372e+03 1.99119e+04 2.34446e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88336e+03 1.16604e+05 6.01681e+05 -4.14551e+06 9.83291e+03 Potential Pressure (bar) -3.38529e+06 -4.56965e+03 Step Time 6868 6868.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06630e+03 6.07980e+03 1.99119e+04 2.34474e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88400e+03 1.16603e+05 6.01684e+05 -4.14551e+06 9.83293e+03 Potential Pressure (bar) -3.38531e+06 -4.56899e+03 Step Time 6869 6869.00000 Step Time 6870 6870.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07021e+03 6.08134e+03 1.99119e+04 2.34460e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88360e+03 1.16604e+05 6.01688e+05 -4.14552e+06 9.83291e+03 Potential Pressure (bar) -3.38531e+06 -4.56928e+03 Step Time 6871 6871.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06764e+03 6.07981e+03 1.99119e+04 2.34478e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88407e+03 1.16603e+05 6.01691e+05 -4.14552e+06 9.83285e+03 Potential Pressure (bar) -3.38531e+06 -4.56884e+03 Step Time 6872 6872.00000 Step Time 6873 6873.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06619e+03 6.08029e+03 1.99119e+04 2.34463e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88379e+03 1.16603e+05 6.01692e+05 -4.14553e+06 9.83291e+03 Potential Pressure (bar) -3.38532e+06 -4.56903e+03 Step Time 6874 6874.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06906e+03 6.07986e+03 1.99119e+04 2.34471e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88411e+03 1.16603e+05 6.01699e+05 -4.14554e+06 9.83288e+03 Potential Pressure (bar) -3.38532e+06 -4.56865e+03 Step Time 6875 6875.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06717e+03 6.08061e+03 1.99119e+04 2.34452e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88370e+03 1.16604e+05 6.01701e+05 -4.14555e+06 9.83285e+03 Potential Pressure (bar) -3.38533e+06 -4.56897e+03 Step Time 6876 6876.00000 Step Time 6877 6877.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06608e+03 6.07981e+03 1.99119e+04 2.34460e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88394e+03 1.16603e+05 6.01704e+05 -4.14555e+06 9.83283e+03 Potential Pressure (bar) -3.38533e+06 -4.56869e+03 Step Time 6878 6878.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06817e+03 6.08089e+03 1.99119e+04 2.34444e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88364e+03 1.16604e+05 6.01708e+05 -4.14556e+06 9.83278e+03 Potential Pressure (bar) -3.38533e+06 -4.56888e+03 Step Time 6879 6879.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06681e+03 6.07978e+03 1.99119e+04 2.34456e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88399e+03 1.16603e+05 6.01712e+05 -4.14557e+06 9.83279e+03 Potential Pressure (bar) -3.38534e+06 -4.56853e+03 Step Time 6880 6880.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07010e+03 6.08135e+03 1.99119e+04 2.34435e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88356e+03 1.16604e+05 6.01715e+05 -4.14558e+06 9.83274e+03 Potential Pressure (bar) -3.38534e+06 -4.56886e+03 Step Time 6881 6881.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06855e+03 6.07983e+03 1.99119e+04 2.34454e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88406e+03 1.16603e+05 6.01719e+05 -4.14559e+06 9.83275e+03 Potential Pressure (bar) -3.38535e+06 -4.56837e+03 Step Time 6882 6882.00000 Step Time 6883 6883.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06604e+03 6.08022e+03 1.99119e+04 2.34440e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88376e+03 1.16603e+05 6.01720e+05 -4.14559e+06 9.83277e+03 Potential Pressure (bar) -3.38535e+06 -4.56860e+03 Step Time 6884 6884.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07029e+03 6.07991e+03 1.99119e+04 2.34451e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88409e+03 1.16603e+05 6.01730e+05 -4.14561e+06 9.83273e+03 Potential Pressure (bar) -3.38536e+06 -4.56816e+03 Step Time 6885 6885.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06698e+03 6.08053e+03 1.99119e+04 2.34430e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88366e+03 1.16604e+05 6.01732e+05 -4.14562e+06 9.83271e+03 Potential Pressure (bar) -3.38536e+06 -4.56849e+03 Step Time 6886 6886.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07357e+03 6.08019e+03 1.99120e+04 2.34444e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88417e+03 1.16603e+05 6.01739e+05 -4.14563e+06 9.83269e+03 Potential Pressure (bar) -3.38536e+06 -4.56794e+03 Step Time 6887 6887.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06936e+03 6.08117e+03 1.99119e+04 2.34419e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88354e+03 1.16604e+05 6.01741e+05 -4.14564e+06 9.83265e+03 Potential Pressure (bar) -3.38537e+06 -4.56845e+03 Step Time 6888 6888.00000 Step Time 6889 6889.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06654e+03 6.07979e+03 1.99120e+04 2.34431e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88391e+03 1.16603e+05 6.01743e+05 -4.14564e+06 9.83267e+03 Potential Pressure (bar) -3.38538e+06 -4.56808e+03 Step Time 6890 6890.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07183e+03 6.08172e+03 1.99119e+04 2.34409e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88346e+03 1.16604e+05 6.01748e+05 -4.14566e+06 9.83259e+03 Potential Pressure (bar) -3.38538e+06 -4.56842e+03 Step Time 6891 6891.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06825e+03 6.07980e+03 1.99120e+04 2.34428e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88399e+03 1.16603e+05 6.01751e+05 -4.14566e+06 9.83264e+03 Potential Pressure (bar) -3.38539e+06 -4.56788e+03 Step Time 6892 6892.00000 Step Time 6893 6893.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06644e+03 6.08033e+03 1.99119e+04 2.34417e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88366e+03 1.16603e+05 6.01752e+05 -4.14566e+06 9.83260e+03 Potential Pressure (bar) -3.38539e+06 -4.56812e+03 Step Time 6894 6894.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07004e+03 6.07990e+03 1.99120e+04 2.34425e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88404e+03 1.16603e+05 6.01760e+05 -4.14568e+06 9.83257e+03 Potential Pressure (bar) -3.38540e+06 -4.56771e+03 Step Time 6895 6895.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06777e+03 6.08073e+03 1.99120e+04 2.34405e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88356e+03 1.16603e+05 6.01761e+05 -4.14569e+06 9.83255e+03 Potential Pressure (bar) -3.38540e+06 -4.56809e+03 Step Time 6896 6896.00000 Step Time 6897 6897.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06618e+03 6.07977e+03 1.99120e+04 2.34414e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88384e+03 1.16603e+05 6.01764e+05 -4.14569e+06 9.83251e+03 Potential Pressure (bar) -3.38541e+06 -4.56778e+03 Step Time 6898 6898.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06916e+03 6.08107e+03 1.99120e+04 2.34398e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88350e+03 1.16604e+05 6.01768e+05 -4.14570e+06 9.83249e+03 Potential Pressure (bar) -3.38541e+06 -4.56802e+03 Step Time 6899 6899.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06711e+03 6.07976e+03 1.99120e+04 2.34412e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88390e+03 1.16603e+05 6.01771e+05 -4.14570e+06 9.83240e+03 Potential Pressure (bar) -3.38541e+06 -4.56760e+03 Step Time 6900 6900.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07177e+03 6.08166e+03 1.99120e+04 2.34391e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88342e+03 1.16604e+05 6.01775e+05 -4.14572e+06 9.83243e+03 Potential Pressure (bar) -3.38541e+06 -4.56801e+03 Step Time 6901 6901.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06939e+03 6.07985e+03 1.99120e+04 2.34413e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88399e+03 1.16603e+05 6.01778e+05 -4.14572e+06 9.83243e+03 Potential Pressure (bar) -3.38542e+06 -4.56743e+03 Step Time 6902 6902.00000 Step Time 6903 6903.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06623e+03 6.08024e+03 1.99120e+04 2.34398e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88363e+03 1.16603e+05 6.01780e+05 -4.14573e+06 9.83242e+03 Potential Pressure (bar) -3.38543e+06 -4.56768e+03 Step Time 6904 6904.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07168e+03 6.08000e+03 1.99120e+04 2.34399e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88404e+03 1.16602e+05 6.01789e+05 -4.14574e+06 9.83242e+03 Potential Pressure (bar) -3.38543e+06 -4.56725e+03 Step Time 6905 6905.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06752e+03 6.08062e+03 1.99120e+04 2.34382e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88354e+03 1.16603e+05 6.01791e+05 -4.14575e+06 9.83242e+03 Potential Pressure (bar) -3.38544e+06 -4.56763e+03 Step Time 6906 6906.00000 Step Time 6907 6907.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06658e+03 6.07974e+03 1.99120e+04 2.34392e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88383e+03 1.16603e+05 6.01794e+05 -4.14576e+06 9.83237e+03 Potential Pressure (bar) -3.38544e+06 -4.56731e+03 Step Time 6908 6908.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06895e+03 6.08099e+03 1.99120e+04 2.34377e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88346e+03 1.16604e+05 6.01797e+05 -4.14576e+06 9.83238e+03 Potential Pressure (bar) -3.38544e+06 -4.56761e+03 Step Time 6909 6909.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06790e+03 6.07975e+03 1.99120e+04 2.34390e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88389e+03 1.16603e+05 6.01801e+05 -4.14577e+06 9.83236e+03 Potential Pressure (bar) -3.38545e+06 -4.56715e+03 Step Time 6910 6910.00000 Step Time 6911 6911.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06599e+03 6.08009e+03 1.99120e+04 2.34378e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88363e+03 1.16603e+05 6.01802e+05 -4.14577e+06 9.83233e+03 Potential Pressure (bar) -3.38545e+06 -4.56735e+03 Step Time 6912 6912.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06918e+03 6.07980e+03 1.99120e+04 2.34381e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88391e+03 1.16603e+05 6.01814e+05 -4.14579e+06 9.83227e+03 Potential Pressure (bar) -3.38546e+06 -4.56691e+03 Step Time 6913 6913.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06668e+03 6.08033e+03 1.99120e+04 2.34368e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88354e+03 1.16603e+05 6.01816e+05 -4.14580e+06 9.83223e+03 Potential Pressure (bar) -3.38546e+06 -4.56722e+03 Step Time 6914 6914.00000 Step Time 6915 6915.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06627e+03 6.07972e+03 1.99120e+04 2.34370e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88376e+03 1.16603e+05 6.01819e+05 -4.14580e+06 9.83226e+03 Potential Pressure (bar) -3.38547e+06 -4.56695e+03 Step Time 6916 6916.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06743e+03 6.08056e+03 1.99120e+04 2.34360e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88348e+03 1.16603e+05 6.01822e+05 -4.14581e+06 9.83221e+03 Potential Pressure (bar) -3.38547e+06 -4.56715e+03 Step Time 6917 6917.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06703e+03 6.07971e+03 1.99121e+04 2.34368e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88381e+03 1.16603e+05 6.01826e+05 -4.14582e+06 9.83213e+03 Potential Pressure (bar) -3.38547e+06 -4.56682e+03 Step Time 6918 6918.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06892e+03 6.08093e+03 1.99121e+04 2.34350e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88341e+03 1.16603e+05 6.01829e+05 -4.14583e+06 9.83218e+03 Potential Pressure (bar) -3.38548e+06 -4.56712e+03 Step Time 6919 6919.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06873e+03 6.07977e+03 1.99121e+04 2.34366e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88388e+03 1.16603e+05 6.01832e+05 -4.14583e+06 9.83216e+03 Potential Pressure (bar) -3.38548e+06 -4.56666e+03 Step Time 6920 6920.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07187e+03 6.08163e+03 1.99121e+04 2.34342e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88332e+03 1.16604e+05 6.01835e+05 -4.14584e+06 9.83216e+03 Potential Pressure (bar) -3.38548e+06 -4.56713e+03 Step Time 6921 6921.00000 Step Time 6922 6922.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06576e+03 6.07987e+03 1.99121e+04 2.34353e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88364e+03 1.16603e+05 6.01837e+05 -4.14584e+06 9.83212e+03 Potential Pressure (bar) -3.38549e+06 -4.56677e+03 Step Time 6923 6923.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07461e+03 6.08216e+03 1.99121e+04 2.34315e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88319e+03 1.16604e+05 6.01857e+05 -4.14589e+06 9.83199e+03 Potential Pressure (bar) -3.38550e+06 -4.56687e+03 Step Time 6924 6924.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06618e+03 6.07968e+03 1.99121e+04 2.34334e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88368e+03 1.16603e+05 6.01859e+05 -4.14589e+06 9.83192e+03 Potential Pressure (bar) -3.38552e+06 -4.56635e+03 Step Time 6925 6925.00000 Step Time 6926 6926.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06810e+03 6.08068e+03 1.99121e+04 2.34320e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88339e+03 1.16603e+05 6.01863e+05 -4.14590e+06 9.83195e+03 Potential Pressure (bar) -3.38552e+06 -4.56656e+03 Step Time 6927 6927.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06695e+03 6.07967e+03 1.99121e+04 2.34328e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88373e+03 1.16603e+05 6.01866e+05 -4.14591e+06 9.83190e+03 Potential Pressure (bar) -3.38552e+06 -4.56621e+03 Step Time 6928 6928.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06997e+03 6.08114e+03 1.99121e+04 2.34311e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88331e+03 1.16603e+05 6.01870e+05 -4.14592e+06 9.83189e+03 Potential Pressure (bar) -3.38553e+06 -4.56656e+03 Step Time 6929 6929.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06872e+03 6.07973e+03 1.99121e+04 2.34328e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88380e+03 1.16603e+05 6.01873e+05 -4.14592e+06 9.83189e+03 Potential Pressure (bar) -3.38553e+06 -4.56605e+03 Step Time 6930 6930.00000 Step Time 6931 6931.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06607e+03 6.08005e+03 1.99121e+04 2.34315e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88350e+03 1.16603e+05 6.01875e+05 -4.14593e+06 9.83189e+03 Potential Pressure (bar) -3.38554e+06 -4.56628e+03 Step Time 6932 6932.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07049e+03 6.07986e+03 1.99121e+04 2.34319e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88384e+03 1.16602e+05 6.01886e+05 -4.14595e+06 9.83184e+03 Potential Pressure (bar) -3.38554e+06 -4.56583e+03 Step Time 6933 6933.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06695e+03 6.08034e+03 1.99121e+04 2.34300e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88341e+03 1.16603e+05 6.01887e+05 -4.14596e+06 9.83178e+03 Potential Pressure (bar) -3.38555e+06 -4.56615e+03 Step Time 6934 6934.00000 Step Time 6935 6935.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06654e+03 6.07967e+03 1.99121e+04 2.34311e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88366e+03 1.16603e+05 6.01891e+05 -4.14596e+06 9.83174e+03 Potential Pressure (bar) -3.38555e+06 -4.56588e+03 Step Time 6936 6936.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06796e+03 6.08062e+03 1.99121e+04 2.34295e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88334e+03 1.16603e+05 6.01894e+05 -4.14597e+06 9.83171e+03 Potential Pressure (bar) -3.38555e+06 -4.56610e+03 Step Time 6937 6937.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06757e+03 6.07968e+03 1.99121e+04 2.34306e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88371e+03 1.16603e+05 6.01897e+05 -4.14598e+06 9.83171e+03 Potential Pressure (bar) -3.38556e+06 -4.56572e+03 Step Time 6938 6938.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06993e+03 6.08111e+03 1.99121e+04 2.34287e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88326e+03 1.16603e+05 6.01900e+05 -4.14599e+06 9.83168e+03 Potential Pressure (bar) -3.38556e+06 -4.56608e+03 Step Time 6939 6939.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06985e+03 6.07981e+03 1.99121e+04 2.34306e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88379e+03 1.16602e+05 6.01904e+05 -4.14599e+06 9.83162e+03 Potential Pressure (bar) -3.38556e+06 -4.56556e+03 Step Time 6940 6940.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07383e+03 6.08198e+03 1.99121e+04 2.34278e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88314e+03 1.16604e+05 6.01907e+05 -4.14600e+06 9.83167e+03 Potential Pressure (bar) -3.38556e+06 -4.56612e+03 Step Time 6941 6941.00000 Step Time 6942 6942.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06580e+03 6.07981e+03 1.99121e+04 2.34294e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88352e+03 1.16603e+05 6.01908e+05 -4.14600e+06 9.83165e+03 Potential Pressure (bar) -3.38557e+06 -4.56567e+03 Step Time 6943 6943.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07750e+03 6.08262e+03 1.99122e+04 2.34247e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88300e+03 1.16604e+05 6.01928e+05 -4.14605e+06 9.83153e+03 Potential Pressure (bar) -3.38559e+06 -4.56589e+03 Step Time 6944 6944.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06640e+03 6.07964e+03 1.99122e+04 2.34271e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88357e+03 1.16603e+05 6.01930e+05 -4.14605e+06 9.83149e+03 Potential Pressure (bar) -3.38560e+06 -4.56528e+03 Step Time 6945 6945.00000 Step Time 6946 6946.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06884e+03 6.08080e+03 1.99122e+04 2.34257e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88323e+03 1.16603e+05 6.01934e+05 -4.14606e+06 9.83147e+03 Potential Pressure (bar) -3.38560e+06 -4.56554e+03 Step Time 6947 6947.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06744e+03 6.07963e+03 1.99122e+04 2.34269e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88363e+03 1.16603e+05 6.01937e+05 -4.14606e+06 9.83145e+03 Potential Pressure (bar) -3.38561e+06 -4.56512e+03 Step Time 6948 6948.00000 Step Time 6949 6949.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06608e+03 6.08001e+03 1.99122e+04 2.34259e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88339e+03 1.16603e+05 6.01939e+05 -4.14607e+06 9.83142e+03 Potential Pressure (bar) -3.38561e+06 -4.56529e+03 Step Time 6950 6950.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06853e+03 6.07966e+03 1.99122e+04 2.34263e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88366e+03 1.16602e+05 6.01948e+05 -4.14609e+06 9.83143e+03 Potential Pressure (bar) -3.38562e+06 -4.56492e+03 Step Time 6951 6951.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06673e+03 6.08023e+03 1.99122e+04 2.34250e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88331e+03 1.16603e+05 6.01950e+05 -4.14609e+06 9.83141e+03 Potential Pressure (bar) -3.38562e+06 -4.56519e+03 Step Time 6952 6952.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07056e+03 6.07978e+03 1.99122e+04 2.34260e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88372e+03 1.16602e+05 6.01956e+05 -4.14610e+06 9.83138e+03 Potential Pressure (bar) -3.38563e+06 -4.56476e+03 Step Time 6953 6953.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06832e+03 6.08068e+03 1.99122e+04 2.34237e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88322e+03 1.16603e+05 6.01958e+05 -4.14611e+06 9.83133e+03 Potential Pressure (bar) -3.38563e+06 -4.56512e+03 Step Time 6954 6954.00000 Step Time 6955 6955.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06626e+03 6.07963e+03 1.99122e+04 2.34250e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88351e+03 1.16603e+05 6.01961e+05 -4.14612e+06 9.83132e+03 Potential Pressure (bar) -3.38564e+06 -4.56483e+03 Step Time 6956 6956.00000 Step Time 6957 6957.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06628e+03 6.08008e+03 1.99122e+04 2.34238e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88332e+03 1.16603e+05 6.01963e+05 -4.14612e+06 9.83129e+03 Potential Pressure (bar) -3.38564e+06 -4.56494e+03 Step Time 6958 6958.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06668e+03 6.07962e+03 1.99122e+04 2.34241e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88353e+03 1.16603e+05 6.01968e+05 -4.14613e+06 9.83125e+03 Potential Pressure (bar) -3.38564e+06 -4.56468e+03 Step Time 6959 6959.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06685e+03 6.08025e+03 1.99122e+04 2.34229e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88327e+03 1.16603e+05 6.01971e+05 -4.14614e+06 9.83122e+03 Potential Pressure (bar) -3.38565e+06 -4.56486e+03 Step Time 6960 6960.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06756e+03 6.07963e+03 1.99122e+04 2.34237e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88357e+03 1.16602e+05 6.01975e+05 -4.14614e+06 9.83119e+03 Potential Pressure (bar) -3.38565e+06 -4.56453e+03 Step Time 6961 6961.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06800e+03 6.08058e+03 1.99122e+04 2.34220e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88319e+03 1.16603e+05 6.01978e+05 -4.14615e+06 9.83119e+03 Potential Pressure (bar) -3.38566e+06 -4.56482e+03 Step Time 6962 6962.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06939e+03 6.07970e+03 1.99122e+04 2.34235e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88363e+03 1.16602e+05 6.01981e+05 -4.14616e+06 9.83114e+03 Potential Pressure (bar) -3.38566e+06 -4.56440e+03 Step Time 6963 6963.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07044e+03 6.08117e+03 1.99122e+04 2.34211e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88309e+03 1.16603e+05 6.01984e+05 -4.14617e+06 9.83115e+03 Potential Pressure (bar) -3.38566e+06 -4.56482e+03 Step Time 6964 6964.00000 Step Time 6965 6965.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06590e+03 6.07969e+03 1.99122e+04 2.34223e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88341e+03 1.16603e+05 6.01986e+05 -4.14617e+06 9.83114e+03 Potential Pressure (bar) -3.38566e+06 -4.56449e+03 Step Time 6966 6966.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07276e+03 6.08167e+03 1.99122e+04 2.34203e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88300e+03 1.16603e+05 6.01996e+05 -4.14619e+06 9.83106e+03 Potential Pressure (bar) -3.38567e+06 -4.56472e+03 Step Time 6967 6967.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06657e+03 6.07958e+03 1.99122e+04 2.34218e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88346e+03 1.16602e+05 6.01998e+05 -4.14619e+06 9.83109e+03 Potential Pressure (bar) -3.38568e+06 -4.56426e+03 Step Time 6968 6968.00000 Step Time 6969 6969.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06737e+03 6.08036e+03 1.99122e+04 2.34204e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88318e+03 1.16603e+05 6.02001e+05 -4.14620e+06 9.83104e+03 Potential Pressure (bar) -3.38568e+06 -4.56447e+03 Step Time 6970 6970.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06744e+03 6.07959e+03 1.99122e+04 2.34213e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88351e+03 1.16602e+05 6.02004e+05 -4.14620e+06 9.83101e+03 Potential Pressure (bar) -3.38568e+06 -4.56413e+03 Step Time 6971 6971.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06886e+03 6.08076e+03 1.99122e+04 2.34196e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88310e+03 1.16603e+05 6.02007e+05 -4.14621e+06 9.83097e+03 Potential Pressure (bar) -3.38569e+06 -4.56442e+03 Step Time 6972 6972.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06938e+03 6.07966e+03 1.99123e+04 2.34211e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88358e+03 1.16602e+05 6.02011e+05 -4.14622e+06 9.83097e+03 Potential Pressure (bar) -3.38569e+06 -4.56396e+03 Step Time 6973 6973.00000 Step Time 6974 6974.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06593e+03 6.07983e+03 1.99123e+04 2.34198e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88329e+03 1.16603e+05 6.02012e+05 -4.14622e+06 9.83092e+03 Potential Pressure (bar) -3.38570e+06 -4.56418e+03 Step Time 6975 6975.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07119e+03 6.07978e+03 1.99123e+04 2.34189e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88358e+03 1.16602e+05 6.02044e+05 -4.14629e+06 9.83071e+03 Potential Pressure (bar) -3.38572e+06 -4.56342e+03 Step Time 6976 6976.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06652e+03 6.08009e+03 1.99123e+04 2.34172e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88316e+03 1.16603e+05 6.02046e+05 -4.14630e+06 9.83071e+03 Potential Pressure (bar) -3.38573e+06 -4.56374e+03 Step Time 6977 6977.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07456e+03 6.07996e+03 1.99123e+04 2.34173e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88366e+03 1.16602e+05 6.02054e+05 -4.14631e+06 9.83062e+03 Potential Pressure (bar) -3.38573e+06 -4.56317e+03 Step Time 6978 6978.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06827e+03 6.08058e+03 1.99123e+04 2.34154e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88305e+03 1.16603e+05 6.02056e+05 -4.14632e+06 9.83065e+03 Potential Pressure (bar) -3.38574e+06 -4.56367e+03 Step Time 6979 6979.00000 Step Time 6980 6980.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06716e+03 6.07950e+03 1.99123e+04 2.34163e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88340e+03 1.16602e+05 6.02059e+05 -4.14632e+06 9.83062e+03 Potential Pressure (bar) -3.38575e+06 -4.56328e+03 Step Time 6981 6981.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07025e+03 6.08106e+03 1.99123e+04 2.34148e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88296e+03 1.16603e+05 6.02063e+05 -4.14633e+06 9.83060e+03 Potential Pressure (bar) -3.38575e+06 -4.56365e+03 Step Time 6982 6982.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06907e+03 6.07959e+03 1.99123e+04 2.34159e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88348e+03 1.16602e+05 6.02066e+05 -4.14634e+06 9.83055e+03 Potential Pressure (bar) -3.38575e+06 -4.56312e+03 Step Time 6983 6983.00000 Step Time 6984 6984.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06614e+03 6.07991e+03 1.99123e+04 2.34149e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88316e+03 1.16603e+05 6.02068e+05 -4.14635e+06 9.83057e+03 Potential Pressure (bar) -3.38576e+06 -4.56335e+03 Step Time 6985 6985.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07099e+03 6.07969e+03 1.99123e+04 2.34149e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88350e+03 1.16602e+05 6.02079e+05 -4.14637e+06 9.83041e+03 Potential Pressure (bar) -3.38577e+06 -4.56289e+03 Step Time 6986 6986.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06708e+03 6.08022e+03 1.99123e+04 2.34135e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88305e+03 1.16603e+05 6.02081e+05 -4.14637e+06 9.83048e+03 Potential Pressure (bar) -3.38577e+06 -4.56324e+03 Step Time 6987 6987.00000 Step Time 6988 6988.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06671e+03 6.07950e+03 1.99123e+04 2.34140e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88332e+03 1.16602e+05 6.02083e+05 -4.14638e+06 9.83041e+03 Potential Pressure (bar) -3.38578e+06 -4.56294e+03 Step Time 6989 6989.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06811e+03 6.08051e+03 1.99123e+04 2.34129e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88299e+03 1.16603e+05 6.02087e+05 -4.14639e+06 9.83040e+03 Potential Pressure (bar) -3.38578e+06 -4.56318e+03 Step Time 6990 6990.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06782e+03 6.07950e+03 1.99123e+04 2.34136e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88338e+03 1.16602e+05 6.02091e+05 -4.14639e+06 9.83037e+03 Potential Pressure (bar) -3.38579e+06 -4.56277e+03 Step Time 6991 6991.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07017e+03 6.08102e+03 1.99123e+04 2.34122e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88291e+03 1.16603e+05 6.02093e+05 -4.14640e+06 9.83039e+03 Potential Pressure (bar) -3.38579e+06 -4.56318e+03 Step Time 6992 6992.00000 Step Time 6993 6993.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06586e+03 6.07966e+03 1.99123e+04 2.34128e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88318e+03 1.16603e+05 6.02095e+05 -4.14640e+06 9.83031e+03 Potential Pressure (bar) -3.38579e+06 -4.56287e+03 Step Time 6994 6994.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07218e+03 6.08135e+03 1.99123e+04 2.34091e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88281e+03 1.16603e+05 6.02115e+05 -4.14645e+06 9.83012e+03 Potential Pressure (bar) -3.38581e+06 -4.56292e+03 Step Time 6995 6995.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06614e+03 6.07953e+03 1.99124e+04 2.34108e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88320e+03 1.16602e+05 6.02117e+05 -4.14645e+06 9.83010e+03 Potential Pressure (bar) -3.38582e+06 -4.56252e+03 Step Time 6996 6996.00000 Step Time 6997 6997.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06755e+03 6.08027e+03 1.99124e+04 2.34097e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88296e+03 1.16603e+05 6.02120e+05 -4.14646e+06 9.83006e+03 Potential Pressure (bar) -3.38582e+06 -4.56267e+03 Step Time 6998 6998.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06663e+03 6.07949e+03 1.99124e+04 2.34105e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88324e+03 1.16602e+05 6.02123e+05 -4.14647e+06 9.83003e+03 Potential Pressure (bar) -3.38583e+06 -4.56235e+03 Step Time 6999 6999.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06885e+03 6.08060e+03 1.99124e+04 2.34089e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88290e+03 1.16603e+05 6.02127e+05 -4.14647e+06 9.82996e+03 Potential Pressure (bar) -3.38583e+06 -4.56260e+03 Step Time 7000 7000.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06781e+03 6.07950e+03 1.99124e+04 2.34100e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88331e+03 1.16602e+05 6.02130e+05 -4.14648e+06 9.82992e+03 Potential Pressure (bar) -3.38583e+06 -4.56219e+03 Step Time 7001 7001.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07138e+03 6.08121e+03 1.99124e+04 2.34079e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88280e+03 1.16603e+05 6.02133e+05 -4.14649e+06 9.82994e+03 Potential Pressure (bar) -3.38584e+06 -4.56258e+03 Step Time 7002 7002.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07049e+03 6.07966e+03 1.99124e+04 2.34098e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88340e+03 1.16602e+05 6.02137e+05 -4.14649e+06 9.82996e+03 Potential Pressure (bar) -3.38584e+06 -4.56204e+03 Step Time 7003 7003.00000 Step Time 7004 7004.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06617e+03 6.07986e+03 1.99124e+04 2.34084e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88303e+03 1.16603e+05 6.02138e+05 -4.14650e+06 9.82991e+03 Potential Pressure (bar) -3.38584e+06 -4.56228e+03 Step Time 7005 7005.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07318e+03 6.07979e+03 1.99124e+04 2.34091e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88344e+03 1.16602e+05 6.02151e+05 -4.14652e+06 9.82976e+03 Potential Pressure (bar) -3.38585e+06 -4.56177e+03 Step Time 7006 7006.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06732e+03 6.08020e+03 1.99124e+04 2.34073e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88292e+03 1.16603e+05 6.02152e+05 -4.14653e+06 9.82975e+03 Potential Pressure (bar) -3.38586e+06 -4.56217e+03 Step Time 7007 7007.00000 Step Time 7008 7008.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06717e+03 6.07945e+03 1.99124e+04 2.34077e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88323e+03 1.16602e+05 6.02156e+05 -4.14653e+06 9.82979e+03 Potential Pressure (bar) -3.38586e+06 -4.56183e+03 Step Time 7009 7009.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06865e+03 6.08055e+03 1.99124e+04 2.34064e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88285e+03 1.16603e+05 6.02159e+05 -4.14654e+06 9.82972e+03 Potential Pressure (bar) -3.38586e+06 -4.56212e+03 Step Time 7010 7010.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06876e+03 6.07952e+03 1.99124e+04 2.34074e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88329e+03 1.16602e+05 6.02162e+05 -4.14655e+06 9.82975e+03 Potential Pressure (bar) -3.38587e+06 -4.56167e+03 Step Time 7011 7011.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07130e+03 6.08119e+03 1.99124e+04 2.34054e+02 -1.09228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88276e+03 1.16603e+05 6.02165e+05 -4.14656e+06 9.82968e+03 Potential Pressure (bar) -3.38587e+06 -4.56212e+03 Step Time 7012 7012.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07216e+03 6.07976e+03 1.99124e+04 2.34074e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88339e+03 1.16602e+05 6.02168e+05 -4.14656e+06 9.82965e+03 Potential Pressure (bar) -3.38587e+06 -4.56150e+03 Step Time 7013 7013.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07666e+03 6.08235e+03 1.99124e+04 2.34045e+02 -1.09228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88262e+03 1.16603e+05 6.02171e+05 -4.14657e+06 9.82969e+03 Potential Pressure (bar) -3.38587e+06 -4.56217e+03 Step Time 7014 7014.00000 Step Time 7015 7015.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06593e+03 6.07956e+03 1.99124e+04 2.34060e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88307e+03 1.16602e+05 6.02173e+05 -4.14657e+06 9.82962e+03 Potential Pressure (bar) -3.38589e+06 -4.56166e+03 Step Time 7016 7016.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08175e+03 6.08320e+03 1.99124e+04 2.34014e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88249e+03 1.16604e+05 6.02188e+05 -4.14661e+06 9.82948e+03 Potential Pressure (bar) -3.38589e+06 -4.56201e+03 Step Time 7017 7017.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06692e+03 6.07944e+03 1.99124e+04 2.34039e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88314e+03 1.16602e+05 6.02191e+05 -4.14661e+06 9.82942e+03 Potential Pressure (bar) -3.38591e+06 -4.56131e+03 Step Time 7018 7018.00000 Step Time 7019 7019.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06985e+03 6.08076e+03 1.99124e+04 2.34022e+02 -1.09227e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88274e+03 1.16603e+05 6.02195e+05 -4.14662e+06 9.82937e+03 Potential Pressure (bar) -3.38591e+06 -4.56159e+03 Step Time 7020 7020.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06853e+03 6.07949e+03 1.99124e+04 2.34039e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88321e+03 1.16602e+05 6.02198e+05 -4.14663e+06 9.82944e+03 Potential Pressure (bar) -3.38591e+06 -4.56116e+03 Step Time 7021 7021.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07321e+03 6.08152e+03 1.99124e+04 2.34011e+02 -1.09227e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88263e+03 1.16603e+05 6.02202e+05 -4.14664e+06 9.82936e+03 Potential Pressure (bar) -3.38591e+06 -4.56161e+03 Step Time 7022 7022.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07212e+03 6.07976e+03 1.99125e+04 2.34037e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88332e+03 1.16602e+05 6.02205e+05 -4.14664e+06 9.82935e+03 Potential Pressure (bar) -3.38591e+06 -4.56096e+03 Step Time 7023 7023.00000 Step Time 7024 7024.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06628e+03 6.07983e+03 1.99124e+04 2.34019e+02 -1.09228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88291e+03 1.16603e+05 6.02206e+05 -4.14665e+06 9.82933e+03 Potential Pressure (bar) -3.38592e+06 -4.56124e+03 Step Time 7025 7025.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07574e+03 6.08002e+03 1.99125e+04 2.34034e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88337e+03 1.16602e+05 6.02218e+05 -4.14667e+06 9.82919e+03 Potential Pressure (bar) -3.38593e+06 -4.56072e+03 Step Time 7026 7026.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06780e+03 6.08028e+03 1.99125e+04 2.34007e+02 -1.09228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88277e+03 1.16603e+05 6.02220e+05 -4.14668e+06 9.82918e+03 Potential Pressure (bar) -3.38594e+06 -4.56114e+03 Step Time 7027 7027.00000 Step Time 7028 7028.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06766e+03 6.07940e+03 1.99125e+04 2.34017e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88313e+03 1.16602e+05 6.02223e+05 -4.14668e+06 9.82912e+03 Potential Pressure (bar) -3.38594e+06 -4.56079e+03 Step Time 7029 7029.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06955e+03 6.08072e+03 1.99125e+04 2.33997e+02 -1.09227e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88269e+03 1.16603e+05 6.02226e+05 -4.14669e+06 9.82912e+03 Potential Pressure (bar) -3.38594e+06 -4.56112e+03 Step Time 7030 7030.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06981e+03 6.07950e+03 1.99125e+04 2.34015e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88321e+03 1.16602e+05 6.02230e+05 -4.14670e+06 9.82904e+03 Potential Pressure (bar) -3.38595e+06 -4.56061e+03 Step Time 7031 7031.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07308e+03 6.08152e+03 1.99125e+04 2.33986e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88259e+03 1.16603e+05 6.02232e+05 -4.14670e+06 9.82902e+03 Potential Pressure (bar) -3.38595e+06 -4.56115e+03 Step Time 7032 7032.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07439e+03 6.07989e+03 1.99125e+04 2.34011e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88332e+03 1.16602e+05 6.02236e+05 -4.14671e+06 9.82906e+03 Potential Pressure (bar) -3.38595e+06 -4.56046e+03 Step Time 7033 7033.00000 Step Time 7034 7034.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06612e+03 6.07972e+03 1.99125e+04 2.33992e+02 -1.09227e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88287e+03 1.16603e+05 6.02237e+05 -4.14671e+06 9.82896e+03 Potential Pressure (bar) -3.38596e+06 -4.56076e+03 Step Time 7035 7035.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07870e+03 6.08027e+03 1.99125e+04 2.33990e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88335e+03 1.16602e+05 6.02259e+05 -4.14675e+06 9.82880e+03 Potential Pressure (bar) -3.38597e+06 -4.56004e+03 Step Time 7036 7036.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06752e+03 6.08014e+03 1.99125e+04 2.33967e+02 -1.09228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88271e+03 1.16603e+05 6.02260e+05 -4.14676e+06 9.82879e+03 Potential Pressure (bar) -3.38599e+06 -4.56052e+03 Step Time 7037 7037.00000 Step Time 7038 7038.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06861e+03 6.07937e+03 1.99125e+04 2.33977e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88310e+03 1.16602e+05 6.02264e+05 -4.14677e+06 9.82877e+03 Potential Pressure (bar) -3.38599e+06 -4.56012e+03 Step Time 7039 7039.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06926e+03 6.08063e+03 1.99125e+04 2.33954e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88263e+03 1.16603e+05 6.02267e+05 -4.14678e+06 9.82871e+03 Potential Pressure (bar) -3.38599e+06 -4.56051e+03 Step Time 7040 7040.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07140e+03 6.07956e+03 1.99125e+04 2.33970e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88318e+03 1.16602e+05 6.02271e+05 -4.14678e+06 9.82869e+03 Potential Pressure (bar) -3.38599e+06 -4.55997e+03 Step Time 7041 7041.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07297e+03 6.08149e+03 1.99125e+04 2.33947e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88251e+03 1.16603e+05 6.02273e+05 -4.14679e+06 9.82865e+03 Potential Pressure (bar) -3.38600e+06 -4.56052e+03 Step Time 7042 7042.00000 Step Time 7043 7043.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06605e+03 6.07941e+03 1.99125e+04 2.33958e+02 -1.09227e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88290e+03 1.16602e+05 6.02276e+05 -4.14679e+06 9.82859e+03 Potential Pressure (bar) -3.38600e+06 -4.56008e+03 Step Time 7044 7044.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07652e+03 6.08220e+03 1.99125e+04 2.33930e+02 -1.09225e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88241e+03 1.16603e+05 6.02285e+05 -4.14682e+06 9.82854e+03 Potential Pressure (bar) -3.38601e+06 -4.56042e+03 Step Time 7045 7045.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06705e+03 6.07930e+03 1.99125e+04 2.33953e+02 -1.09227e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88298e+03 1.16602e+05 6.02288e+05 -4.14682e+06 9.82852e+03 Potential Pressure (bar) -3.38602e+06 -4.55982e+03 Step Time 7046 7046.00000 Step Time 7047 7047.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06826e+03 6.08034e+03 1.99125e+04 2.33938e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88263e+03 1.16603e+05 6.02290e+05 -4.14683e+06 9.82849e+03 Potential Pressure (bar) -3.38602e+06 -4.56009e+03 Step Time 7048 7048.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06843e+03 6.07934e+03 1.99125e+04 2.33947e+02 -1.09228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88305e+03 1.16602e+05 6.02294e+05 -4.14683e+06 9.82849e+03 Potential Pressure (bar) -3.38602e+06 -4.55966e+03 Step Time 7049 7049.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07054e+03 6.08091e+03 1.99125e+04 2.33925e+02 -1.09225e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88253e+03 1.16603e+05 6.02296e+05 -4.14684e+06 9.82845e+03 Potential Pressure (bar) -3.38603e+06 -4.56008e+03 Step Time 7050 7050.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07139e+03 6.07951e+03 1.99125e+04 2.33944e+02 -1.09228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88314e+03 1.16602e+05 6.02300e+05 -4.14685e+06 9.82837e+03 Potential Pressure (bar) -3.38603e+06 -4.55950e+03 Step Time 7051 7051.00000 Step Time 7052 7052.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06607e+03 6.07960e+03 1.99125e+04 2.33931e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88277e+03 1.16602e+05 6.02301e+05 -4.14685e+06 9.82838e+03 Potential Pressure (bar) -3.38604e+06 -4.55977e+03 Step Time 7053 7053.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07412e+03 6.07982e+03 1.99125e+04 2.33910e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88312e+03 1.16602e+05 6.02326e+05 -4.14690e+06 9.82813e+03 Potential Pressure (bar) -3.38605e+06 -4.55905e+03 Step Time 7054 7054.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06698e+03 6.07992e+03 1.99125e+04 2.33895e+02 -1.09225e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88261e+03 1.16603e+05 6.02328e+05 -4.14691e+06 9.82814e+03 Potential Pressure (bar) -3.38606e+06 -4.55943e+03 Step Time 7055 7055.00000 Step Time 7056 7056.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06767e+03 6.07926e+03 1.99125e+04 2.33907e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88293e+03 1.16602e+05 6.02332e+05 -4.14691e+06 9.82806e+03 Potential Pressure (bar) -3.38607e+06 -4.55910e+03 Step Time 7057 7057.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06811e+03 6.08025e+03 1.99125e+04 2.33889e+02 -1.09225e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88255e+03 1.16603e+05 6.02334e+05 -4.14692e+06 9.82804e+03 Potential Pressure (bar) -3.38607e+06 -4.55940e+03 Step Time 7058 7058.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06946e+03 6.07935e+03 1.99126e+04 2.33905e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88299e+03 1.16602e+05 6.02338e+05 -4.14693e+06 9.82795e+03 Potential Pressure (bar) -3.38607e+06 -4.55894e+03 Step Time 7059 7059.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07052e+03 6.08084e+03 1.99125e+04 2.33878e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88245e+03 1.16603e+05 6.02341e+05 -4.14694e+06 9.82796e+03 Potential Pressure (bar) -3.38608e+06 -4.55939e+03 Step Time 7060 7060.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07312e+03 6.07964e+03 1.99126e+04 2.33901e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88310e+03 1.16602e+05 6.02345e+05 -4.14694e+06 9.82792e+03 Potential Pressure (bar) -3.38608e+06 -4.55880e+03 Step Time 7061 7061.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07548e+03 6.08195e+03 1.99125e+04 2.33870e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88232e+03 1.16603e+05 6.02347e+05 -4.14695e+06 9.82788e+03 Potential Pressure (bar) -3.38608e+06 -4.55945e+03 Step Time 7062 7062.00000 Step Time 7063 7063.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06609e+03 6.07934e+03 1.99126e+04 2.33883e+02 -1.09225e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88277e+03 1.16602e+05 6.02349e+05 -4.14695e+06 9.82783e+03 Potential Pressure (bar) -3.38609e+06 -4.55894e+03 Step Time 7064 7064.00000 Step Time 7065 7065.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06890e+03 6.08039e+03 1.99126e+04 2.33869e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88248e+03 1.16603e+05 6.02354e+05 -4.14696e+06 9.82778e+03 Potential Pressure (bar) -3.38609e+06 -4.55913e+03 Step Time 7066 7066.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06654e+03 6.07928e+03 1.99126e+04 2.33877e+02 -1.09225e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88282e+03 1.16602e+05 6.02356e+05 -4.14697e+06 9.82777e+03 Potential Pressure (bar) -3.38610e+06 -4.55877e+03 Step Time 7067 7067.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07085e+03 6.08083e+03 1.99126e+04 2.33857e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88241e+03 1.16603e+05 6.02361e+05 -4.14698e+06 9.82775e+03 Potential Pressure (bar) -3.38610e+06 -4.55908e+03 Step Time 7068 7068.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06785e+03 6.07928e+03 1.99126e+04 2.33875e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88288e+03 1.16602e+05 6.02364e+05 -4.14698e+06 9.82772e+03 Potential Pressure (bar) -3.38610e+06 -4.55858e+03 Step Time 7069 7069.00000 Step Time 7070 7070.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06653e+03 6.07975e+03 1.99126e+04 2.33862e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88259e+03 1.16603e+05 6.02365e+05 -4.14699e+06 9.82770e+03 Potential Pressure (bar) -3.38611e+06 -4.55881e+03 Step Time 7071 7071.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06928e+03 6.07931e+03 1.99126e+04 2.33869e+02 -1.09225e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88293e+03 1.16602e+05 6.02371e+05 -4.14700e+06 9.82759e+03 Potential Pressure (bar) -3.38611e+06 -4.55843e+03 Step Time 7072 7072.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06763e+03 6.08004e+03 1.99126e+04 2.33848e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88251e+03 1.16603e+05 6.02373e+05 -4.14701e+06 9.82762e+03 Potential Pressure (bar) -3.38612e+06 -4.55876e+03 Step Time 7073 7073.00000 Step Time 7074 7074.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06629e+03 6.07927e+03 1.99126e+04 2.33856e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88275e+03 1.16602e+05 6.02377e+05 -4.14701e+06 9.82758e+03 Potential Pressure (bar) -3.38612e+06 -4.55847e+03 Step Time 7075 7075.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06872e+03 6.08032e+03 1.99126e+04 2.33844e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88244e+03 1.16603e+05 6.02380e+05 -4.14702e+06 9.82755e+03 Potential Pressure (bar) -3.38613e+06 -4.55871e+03 Step Time 7076 7076.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06701e+03 6.07923e+03 1.99126e+04 2.33854e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88279e+03 1.16602e+05 6.02383e+05 -4.14703e+06 9.82748e+03 Potential Pressure (bar) -3.38613e+06 -4.55837e+03 Step Time 7077 7077.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07078e+03 6.08081e+03 1.99126e+04 2.33837e+02 -1.09222e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88236e+03 1.16603e+05 6.02387e+05 -4.14704e+06 9.82746e+03 Potential Pressure (bar) -3.38613e+06 -4.55869e+03 Step Time 7078 7078.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06875e+03 6.07928e+03 1.99126e+04 2.33851e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88287e+03 1.16602e+05 6.02390e+05 -4.14704e+06 9.82743e+03 Potential Pressure (bar) -3.38614e+06 -4.55817e+03 Step Time 7079 7079.00000 Step Time 7080 7080.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06638e+03 6.07966e+03 1.99126e+04 2.33835e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88256e+03 1.16603e+05 6.02391e+05 -4.14705e+06 9.82742e+03 Potential Pressure (bar) -3.38614e+06 -4.55841e+03 Step Time 7081 7081.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07053e+03 6.07937e+03 1.99126e+04 2.33837e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88292e+03 1.16602e+05 6.02400e+05 -4.14706e+06 9.82735e+03 Potential Pressure (bar) -3.38615e+06 -4.55795e+03 Step Time 7082 7082.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06741e+03 6.07997e+03 1.99126e+04 2.33819e+02 -1.09222e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88246e+03 1.16603e+05 6.02401e+05 -4.14707e+06 9.82730e+03 Potential Pressure (bar) -3.38615e+06 -4.55832e+03 Step Time 7083 7083.00000 Step Time 7084 7084.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06660e+03 6.07922e+03 1.99126e+04 2.33828e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88272e+03 1.16602e+05 6.02404e+05 -4.14707e+06 9.82732e+03 Potential Pressure (bar) -3.38616e+06 -4.55803e+03 Step Time 7085 7085.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06854e+03 6.08027e+03 1.99126e+04 2.33813e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88240e+03 1.16603e+05 6.02408e+05 -4.14708e+06 9.82724e+03 Potential Pressure (bar) -3.38616e+06 -4.55827e+03 Step Time 7086 7086.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06759e+03 6.07923e+03 1.99126e+04 2.33823e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88278e+03 1.16602e+05 6.02411e+05 -4.14709e+06 9.82718e+03 Potential Pressure (bar) -3.38616e+06 -4.55790e+03 Step Time 7087 7087.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07071e+03 6.08076e+03 1.99126e+04 2.33801e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88232e+03 1.16603e+05 6.02414e+05 -4.14710e+06 9.82711e+03 Potential Pressure (bar) -3.38617e+06 -4.55828e+03 Step Time 7088 7088.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06985e+03 6.07934e+03 1.99126e+04 2.33819e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88287e+03 1.16602e+05 6.02418e+05 -4.14710e+06 9.82715e+03 Potential Pressure (bar) -3.38617e+06 -4.55774e+03 Step Time 7089 7089.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07497e+03 6.08171e+03 1.99126e+04 2.33792e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88220e+03 1.16603e+05 6.02421e+05 -4.14711e+06 9.82712e+03 Potential Pressure (bar) -3.38617e+06 -4.55829e+03 Step Time 7090 7090.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07482e+03 6.07978e+03 1.99126e+04 2.33820e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88299e+03 1.16602e+05 6.02424e+05 -4.14711e+06 9.82708e+03 Potential Pressure (bar) -3.38617e+06 -4.55754e+03 Step Time 7091 7091.00000 Step Time 7092 7092.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06633e+03 6.07963e+03 1.99126e+04 2.33799e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88250e+03 1.16602e+05 6.02425e+05 -4.14712e+06 9.82702e+03 Potential Pressure (bar) -3.38618e+06 -4.55790e+03 Step Time 7093 7093.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07970e+03 6.08014e+03 1.99126e+04 2.33807e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88306e+03 1.16602e+05 6.02439e+05 -4.14715e+06 9.82690e+03 Potential Pressure (bar) -3.38618e+06 -4.55725e+03 Step Time 7094 7094.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06816e+03 6.08011e+03 1.99126e+04 2.33780e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88236e+03 1.16603e+05 6.02441e+05 -4.14716e+06 9.82688e+03 Potential Pressure (bar) -3.38620e+06 -4.55776e+03 Step Time 7095 7095.00000 Step Time 7096 7096.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06862e+03 6.07922e+03 1.99126e+04 2.33791e+02 -1.09222e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88276e+03 1.16602e+05 6.02444e+05 -4.14716e+06 9.82679e+03 Potential Pressure (bar) -3.38620e+06 -4.55736e+03 Step Time 7097 7097.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07035e+03 6.08066e+03 1.99126e+04 2.33768e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88227e+03 1.16603e+05 6.02447e+05 -4.14717e+06 9.82678e+03 Potential Pressure (bar) -3.38621e+06 -4.55777e+03 Step Time 7098 7098.00000 Step Time 7099 7099.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06600e+03 6.07927e+03 1.99126e+04 2.33776e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88256e+03 1.16602e+05 6.02449e+05 -4.14717e+06 9.82677e+03 Potential Pressure (bar) -3.38621e+06 -4.55744e+03 Step Time 7100 7100.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07241e+03 6.08107e+03 1.99126e+04 2.33754e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88218e+03 1.16603e+05 6.02461e+05 -4.14720e+06 9.82664e+03 Potential Pressure (bar) -3.38622e+06 -4.55760e+03 Step Time 7101 7101.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06643e+03 6.07917e+03 1.99126e+04 2.33767e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88260e+03 1.16602e+05 6.02463e+05 -4.14720e+06 9.82658e+03 Potential Pressure (bar) -3.38623e+06 -4.55717e+03 Step Time 7102 7102.00000 Step Time 7103 7103.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06755e+03 6.07993e+03 1.99126e+04 2.33754e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88234e+03 1.16603e+05 6.02466e+05 -4.14721e+06 9.82655e+03 Potential Pressure (bar) -3.38623e+06 -4.55734e+03 Step Time 7104 7104.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06711e+03 6.07914e+03 1.99126e+04 2.33760e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88265e+03 1.16602e+05 6.02469e+05 -4.14721e+06 9.82652e+03 Potential Pressure (bar) -3.38623e+06 -4.55704e+03 Step Time 7105 7105.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06892e+03 6.08026e+03 1.99126e+04 2.33746e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88227e+03 1.16603e+05 6.02473e+05 -4.14722e+06 9.82648e+03 Potential Pressure (bar) -3.38623e+06 -4.55732e+03 Step Time 7106 7106.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06861e+03 6.07919e+03 1.99126e+04 2.33758e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88271e+03 1.16602e+05 6.02476e+05 -4.14723e+06 9.82644e+03 Potential Pressure (bar) -3.38624e+06 -4.55688e+03 Step Time 7107 7107.00000 Step Time 7108 7108.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06614e+03 6.07941e+03 1.99126e+04 2.33746e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88244e+03 1.16602e+05 6.02477e+05 -4.14723e+06 9.82645e+03 Potential Pressure (bar) -3.38624e+06 -4.55708e+03 Step Time 7109 7109.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07011e+03 6.07926e+03 1.99127e+04 2.33740e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88272e+03 1.16602e+05 6.02494e+05 -4.14726e+06 9.82625e+03 Potential Pressure (bar) -3.38625e+06 -4.55659e+03 Step Time 7110 7110.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06673e+03 6.07964e+03 1.99126e+04 2.33721e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88234e+03 1.16603e+05 6.02495e+05 -4.14727e+06 9.82620e+03 Potential Pressure (bar) -3.38626e+06 -4.55687e+03 Step Time 7111 7111.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07276e+03 6.07943e+03 1.99127e+04 2.33736e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88279e+03 1.16602e+05 6.02503e+05 -4.14728e+06 9.82614e+03 Potential Pressure (bar) -3.38626e+06 -4.55638e+03 Step Time 7112 7112.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06841e+03 6.08010e+03 1.99126e+04 2.33709e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88223e+03 1.16603e+05 6.02504e+05 -4.14729e+06 9.82613e+03 Potential Pressure (bar) -3.38627e+06 -4.55681e+03 Step Time 7113 7113.00000 Step Time 7114 7114.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06687e+03 6.07909e+03 1.99127e+04 2.33719e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88256e+03 1.16602e+05 6.02507e+05 -4.14729e+06 9.82610e+03 Potential Pressure (bar) -3.38628e+06 -4.55647e+03 Step Time 7115 7115.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07018e+03 6.08052e+03 1.99126e+04 2.33699e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88216e+03 1.16603e+05 6.02511e+05 -4.14730e+06 9.82603e+03 Potential Pressure (bar) -3.38628e+06 -4.55681e+03 Step Time 7116 7116.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06833e+03 6.07911e+03 1.99127e+04 2.33716e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88263e+03 1.16602e+05 6.02513e+05 -4.14731e+06 9.82598e+03 Potential Pressure (bar) -3.38628e+06 -4.55632e+03 Step Time 7117 7117.00000 Step Time 7118 7118.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06637e+03 6.07947e+03 1.99126e+04 2.33703e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88234e+03 1.16603e+05 6.02515e+05 -4.14731e+06 9.82599e+03 Potential Pressure (bar) -3.38629e+06 -4.55654e+03 Step Time 7119 7119.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06988e+03 6.07919e+03 1.99127e+04 2.33706e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88266e+03 1.16602e+05 6.02524e+05 -4.14733e+06 9.82589e+03 Potential Pressure (bar) -3.38629e+06 -4.55612e+03 Step Time 7120 7120.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06728e+03 6.07976e+03 1.99127e+04 2.33687e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88225e+03 1.16603e+05 6.02525e+05 -4.14733e+06 9.82583e+03 Potential Pressure (bar) -3.38630e+06 -4.55644e+03 Step Time 7121 7121.00000 Step Time 7122 7122.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06653e+03 6.07909e+03 1.99127e+04 2.33692e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88248e+03 1.16602e+05 6.02528e+05 -4.14734e+06 9.82578e+03 Potential Pressure (bar) -3.38630e+06 -4.55617e+03 Step Time 7123 7123.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06826e+03 6.08001e+03 1.99127e+04 2.33679e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88219e+03 1.16603e+05 6.02531e+05 -4.14735e+06 9.82581e+03 Potential Pressure (bar) -3.38630e+06 -4.55642e+03 Step Time 7124 7124.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06737e+03 6.07907e+03 1.99127e+04 2.33690e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88254e+03 1.16602e+05 6.02534e+05 -4.14735e+06 9.82574e+03 Potential Pressure (bar) -3.38631e+06 -4.55603e+03 Step Time 7125 7125.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07013e+03 6.08048e+03 1.99127e+04 2.33667e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88211e+03 1.16603e+05 6.02537e+05 -4.14736e+06 9.82572e+03 Potential Pressure (bar) -3.38631e+06 -4.55638e+03 Step Time 7126 7126.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06930e+03 6.07916e+03 1.99127e+04 2.33687e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88261e+03 1.16602e+05 6.02540e+05 -4.14736e+06 9.82568e+03 Potential Pressure (bar) -3.38631e+06 -4.55586e+03 Step Time 7127 7127.00000 Step Time 7128 7128.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06625e+03 6.07940e+03 1.99127e+04 2.33671e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88230e+03 1.16603e+05 6.02542e+05 -4.14737e+06 9.82569e+03 Potential Pressure (bar) -3.38632e+06 -4.55613e+03 Step Time 7129 7129.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07121e+03 6.07927e+03 1.99127e+04 2.33676e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88266e+03 1.16602e+05 6.02554e+05 -4.14739e+06 9.82547e+03 Potential Pressure (bar) -3.38632e+06 -4.55563e+03 Step Time 7130 7130.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06710e+03 6.07968e+03 1.99127e+04 2.33652e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88220e+03 1.16603e+05 6.02556e+05 -4.14740e+06 9.82544e+03 Potential Pressure (bar) -3.38633e+06 -4.55599e+03 Step Time 7131 7131.00000 Step Time 7132 7132.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06692e+03 6.07902e+03 1.99127e+04 2.33661e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88246e+03 1.16602e+05 6.02559e+05 -4.14740e+06 9.82538e+03 Potential Pressure (bar) -3.38634e+06 -4.55568e+03 Step Time 7133 7133.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06810e+03 6.07995e+03 1.99127e+04 2.33645e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88214e+03 1.16603e+05 6.02562e+05 -4.14741e+06 9.82541e+03 Potential Pressure (bar) -3.38634e+06 -4.55592e+03 Step Time 7134 7134.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06805e+03 6.07904e+03 1.99127e+04 2.33658e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88252e+03 1.16602e+05 6.02565e+05 -4.14742e+06 9.82538e+03 Potential Pressure (bar) -3.38634e+06 -4.55552e+03 Step Time 7135 7135.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07008e+03 6.08045e+03 1.99127e+04 2.33636e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88205e+03 1.16603e+05 6.02568e+05 -4.14742e+06 9.82533e+03 Potential Pressure (bar) -3.38634e+06 -4.55591e+03 Step Time 7136 7136.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07049e+03 6.07919e+03 1.99127e+04 2.33655e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88260e+03 1.16602e+05 6.02571e+05 -4.14743e+06 9.82526e+03 Potential Pressure (bar) -3.38634e+06 -4.55534e+03 Step Time 7137 7137.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07404e+03 6.08133e+03 1.99127e+04 2.33626e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88193e+03 1.16603e+05 6.02574e+05 -4.14744e+06 9.82527e+03 Potential Pressure (bar) -3.38635e+06 -4.55591e+03 Step Time 7138 7138.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07575e+03 6.07963e+03 1.99127e+04 2.33654e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88273e+03 1.16602e+05 6.02578e+05 -4.14744e+06 9.82517e+03 Potential Pressure (bar) -3.38635e+06 -4.55517e+03 Step Time 7139 7139.00000 Step Time 7140 7140.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06622e+03 6.07936e+03 1.99127e+04 2.33631e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88224e+03 1.16603e+05 6.02579e+05 -4.14745e+06 9.82517e+03 Potential Pressure (bar) -3.38636e+06 -4.55552e+03 Step Time 7141 7141.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.08075e+03 6.08008e+03 1.99127e+04 2.33636e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88277e+03 1.16602e+05 6.02601e+05 -4.14749e+06 9.82490e+03 Potential Pressure (bar) -3.38636e+06 -4.55476e+03 Step Time 7142 7142.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06777e+03 6.07982e+03 1.99127e+04 2.33603e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88207e+03 1.16603e+05 6.02603e+05 -4.14750e+06 9.82490e+03 Potential Pressure (bar) -3.38638e+06 -4.55528e+03 Step Time 7143 7143.00000 Step Time 7144 7144.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06916e+03 6.07903e+03 1.99127e+04 2.33612e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88247e+03 1.16602e+05 6.02607e+05 -4.14751e+06 9.82479e+03 Potential Pressure (bar) -3.38639e+06 -4.55484e+03 Step Time 7145 7145.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06974e+03 6.08035e+03 1.99127e+04 2.33591e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88199e+03 1.16603e+05 6.02609e+05 -4.14752e+06 9.82481e+03 Potential Pressure (bar) -3.38639e+06 -4.55527e+03 Step Time 7146 7146.00000 Step Time 7147 7147.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06612e+03 6.07904e+03 1.99127e+04 2.33598e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88227e+03 1.16602e+05 6.02611e+05 -4.14752e+06 9.82477e+03 Potential Pressure (bar) -3.38640e+06 -4.55492e+03 Step Time 7148 7148.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07161e+03 6.08077e+03 1.99127e+04 2.33583e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88191e+03 1.16603e+05 6.02619e+05 -4.14754e+06 9.82465e+03 Potential Pressure (bar) -3.38640e+06 -4.55519e+03 Step Time 7149 7149.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06670e+03 6.07894e+03 1.99127e+04 2.33594e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88233e+03 1.16602e+05 6.02621e+05 -4.14754e+06 9.82465e+03 Potential Pressure (bar) -3.38641e+06 -4.55473e+03 Step Time 7150 7150.00000 Step Time 7151 7151.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06723e+03 6.07965e+03 1.99127e+04 2.33582e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88207e+03 1.16603e+05 6.02624e+05 -4.14754e+06 9.82462e+03 Potential Pressure (bar) -3.38641e+06 -4.55493e+03 Step Time 7152 7152.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06750e+03 6.07893e+03 1.99127e+04 2.33587e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88237e+03 1.16602e+05 6.02627e+05 -4.14755e+06 9.82459e+03 Potential Pressure (bar) -3.38642e+06 -4.55456e+03 Step Time 7153 7153.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06843e+03 6.07998e+03 1.99127e+04 2.33573e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88199e+03 1.16603e+05 6.02630e+05 -4.14756e+06 9.82453e+03 Potential Pressure (bar) -3.38642e+06 -4.55487e+03 Step Time 7154 7154.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06914e+03 6.07898e+03 1.99127e+04 2.33586e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88244e+03 1.16602e+05 6.02633e+05 -4.14757e+06 9.82450e+03 Potential Pressure (bar) -3.38642e+06 -4.55442e+03 Step Time 7155 7155.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07090e+03 6.08060e+03 1.99127e+04 2.33563e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88190e+03 1.16603e+05 6.02635e+05 -4.14757e+06 9.82447e+03 Potential Pressure (bar) -3.38642e+06 -4.55488e+03 Step Time 7156 7156.00000 Step Time 7157 7157.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06605e+03 6.07905e+03 1.99127e+04 2.33573e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88221e+03 1.16602e+05 6.02637e+05 -4.14758e+06 9.82445e+03 Potential Pressure (bar) -3.38643e+06 -4.55456e+03 Step Time 7158 7158.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07325e+03 6.08103e+03 1.99127e+04 2.33546e+02 -1.09214e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88181e+03 1.16603e+05 6.02648e+05 -4.14760e+06 9.82424e+03 Potential Pressure (bar) -3.38643e+06 -4.55477e+03 Step Time 7159 7159.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06660e+03 6.07889e+03 1.99127e+04 2.33563e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88227e+03 1.16602e+05 6.02650e+05 -4.14760e+06 9.82422e+03 Potential Pressure (bar) -3.38644e+06 -4.55426e+03 Step Time 7160 7160.00000 Step Time 7161 7161.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06776e+03 6.07977e+03 1.99127e+04 2.33548e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88199e+03 1.16603e+05 6.02653e+05 -4.14761e+06 9.82422e+03 Potential Pressure (bar) -3.38645e+06 -4.55449e+03 Step Time 7162 7162.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06740e+03 6.07887e+03 1.99127e+04 2.33554e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88231e+03 1.16602e+05 6.02656e+05 -4.14762e+06 9.82415e+03 Potential Pressure (bar) -3.38645e+06 -4.55416e+03 Step Time 7163 7163.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06929e+03 6.08016e+03 1.99127e+04 2.33541e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88191e+03 1.16603e+05 6.02659e+05 -4.14762e+06 9.82411e+03 Potential Pressure (bar) -3.38645e+06 -4.55446e+03 Step Time 7164 7164.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06914e+03 6.07893e+03 1.99128e+04 2.33553e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88238e+03 1.16602e+05 6.02662e+05 -4.14763e+06 9.82405e+03 Potential Pressure (bar) -3.38646e+06 -4.55397e+03 Step Time 7165 7165.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07235e+03 6.08088e+03 1.99127e+04 2.33529e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88181e+03 1.16603e+05 6.02665e+05 -4.14764e+06 9.82406e+03 Potential Pressure (bar) -3.38646e+06 -4.55445e+03 Step Time 7166 7166.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07293e+03 6.07920e+03 1.99128e+04 2.33549e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88248e+03 1.16602e+05 6.02669e+05 -4.14764e+06 9.82397e+03 Potential Pressure (bar) -3.38646e+06 -4.55380e+03 Step Time 7167 7167.00000 Step Time 7168 7168.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06623e+03 6.07926e+03 1.99127e+04 2.33533e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88207e+03 1.16603e+05 6.02670e+05 -4.14765e+06 9.82400e+03 Potential Pressure (bar) -3.38647e+06 -4.55411e+03 Step Time 7169 7169.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07671e+03 6.07938e+03 1.99128e+04 2.33530e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88254e+03 1.16602e+05 6.02688e+05 -4.14768e+06 9.82374e+03 Potential Pressure (bar) -3.38647e+06 -4.55346e+03 Step Time 7170 7170.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06749e+03 6.07964e+03 1.99128e+04 2.33506e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88194e+03 1.16603e+05 6.02689e+05 -4.14769e+06 9.82368e+03 Potential Pressure (bar) -3.38649e+06 -4.55395e+03 Step Time 7171 7171.00000 Step Time 7172 7172.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06820e+03 6.07883e+03 1.99128e+04 2.33514e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88228e+03 1.16602e+05 6.02694e+05 -4.14769e+06 9.82367e+03 Potential Pressure (bar) -3.38649e+06 -4.55353e+03 Step Time 7173 7173.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06903e+03 6.08008e+03 1.99128e+04 2.33498e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88185e+03 1.16603e+05 6.02696e+05 -4.14770e+06 9.82360e+03 Potential Pressure (bar) -3.38649e+06 -4.55389e+03 Step Time 7174 7174.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07049e+03 6.07894e+03 1.99128e+04 2.33511e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88236e+03 1.16602e+05 6.02700e+05 -4.14771e+06 9.82359e+03 Potential Pressure (bar) -3.38649e+06 -4.55338e+03 Step Time 7175 7175.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07222e+03 6.08085e+03 1.99128e+04 2.33487e+02 -1.09214e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88174e+03 1.16603e+05 6.02703e+05 -4.14772e+06 9.82356e+03 Potential Pressure (bar) -3.38650e+06 -4.55394e+03 Step Time 7176 7176.00000 Step Time 7177 7177.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06611e+03 6.07892e+03 1.99128e+04 2.33498e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88210e+03 1.16603e+05 6.02704e+05 -4.14772e+06 9.82353e+03 Potential Pressure (bar) -3.38650e+06 -4.55353e+03 Step Time 7178 7178.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07530e+03 6.08149e+03 1.99128e+04 2.33468e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88165e+03 1.16603e+05 6.02714e+05 -4.14774e+06 9.82341e+03 Potential Pressure (bar) -3.38651e+06 -4.55384e+03 Step Time 7179 7179.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06691e+03 6.07881e+03 1.99128e+04 2.33484e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88217e+03 1.16602e+05 6.02717e+05 -4.14774e+06 9.82337e+03 Potential Pressure (bar) -3.38652e+06 -4.55324e+03 Step Time 7180 7180.00000 Step Time 7181 7181.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06817e+03 6.07982e+03 1.99128e+04 2.33470e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88184e+03 1.16603e+05 6.02720e+05 -4.14775e+06 9.82332e+03 Potential Pressure (bar) -3.38652e+06 -4.55352e+03 Step Time 7182 7182.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06803e+03 6.07879e+03 1.99128e+04 2.33481e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88222e+03 1.16602e+05 6.02723e+05 -4.14775e+06 9.82324e+03 Potential Pressure (bar) -3.38652e+06 -4.55310e+03 Step Time 7183 7183.00000 Step Time 7184 7184.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06614e+03 6.07911e+03 1.99128e+04 2.33472e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88199e+03 1.16603e+05 6.02725e+05 -4.14776e+06 9.82321e+03 Potential Pressure (bar) -3.38653e+06 -4.55328e+03 Step Time 7185 7185.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06917e+03 6.07880e+03 1.99128e+04 2.33458e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88222e+03 1.16602e+05 6.02744e+05 -4.14780e+06 9.82299e+03 Potential Pressure (bar) -3.38654e+06 -4.55276e+03 Step Time 7186 7186.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06660e+03 6.07928e+03 1.99128e+04 2.33440e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88188e+03 1.16603e+05 6.02746e+05 -4.14780e+06 9.82293e+03 Potential Pressure (bar) -3.38655e+06 -4.55300e+03 Step Time 7187 7187.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07109e+03 6.07896e+03 1.99128e+04 2.33455e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88231e+03 1.16602e+05 6.02753e+05 -4.14781e+06 9.82284e+03 Potential Pressure (bar) -3.38655e+06 -4.55260e+03 Step Time 7188 7188.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06778e+03 6.07968e+03 1.99128e+04 2.33434e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88179e+03 1.16603e+05 6.02755e+05 -4.14782e+06 9.82282e+03 Potential Pressure (bar) -3.38656e+06 -4.55296e+03 Step Time 7189 7189.00000 Step Time 7190 7190.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06674e+03 6.07878e+03 1.99128e+04 2.33439e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88208e+03 1.16602e+05 6.02758e+05 -4.14782e+06 9.82279e+03 Potential Pressure (bar) -3.38656e+06 -4.55265e+03 Step Time 7191 7191.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06909e+03 6.08000e+03 1.99128e+04 2.33422e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88173e+03 1.16603e+05 6.02761e+05 -4.14783e+06 9.82273e+03 Potential Pressure (bar) -3.38656e+06 -4.55292e+03 Step Time 7192 7192.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06784e+03 6.07876e+03 1.99128e+04 2.33436e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88214e+03 1.16602e+05 6.02764e+05 -4.14784e+06 9.82270e+03 Potential Pressure (bar) -3.38657e+06 -4.55249e+03 Step Time 7193 7193.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07160e+03 6.08060e+03 1.99128e+04 2.33410e+02 -1.09215e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88164e+03 1.16603e+05 6.02767e+05 -4.14785e+06 9.82272e+03 Potential Pressure (bar) -3.38657e+06 -4.55292e+03 Step Time 7194 7194.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07038e+03 6.07888e+03 1.99128e+04 2.33429e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88223e+03 1.16602e+05 6.02770e+05 -4.14785e+06 9.82267e+03 Potential Pressure (bar) -3.38657e+06 -4.55231e+03 Step Time 7195 7195.00000 Step Time 7196 7196.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06640e+03 6.07919e+03 1.99128e+04 2.33413e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88187e+03 1.16603e+05 6.02772e+05 -4.14785e+06 9.82262e+03 Potential Pressure (bar) -3.38658e+06 -4.55257e+03 Step Time 7197 7197.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07288e+03 6.07906e+03 1.99128e+04 2.33414e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88227e+03 1.16602e+05 6.02782e+05 -4.14788e+06 9.82243e+03 Potential Pressure (bar) -3.38658e+06 -4.55207e+03 Step Time 7198 7198.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06756e+03 6.07956e+03 1.99128e+04 2.33396e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88175e+03 1.16603e+05 6.02783e+05 -4.14789e+06 9.82242e+03 Potential Pressure (bar) -3.38659e+06 -4.55248e+03 Step Time 7199 7199.00000 Step Time 7200 7200.00000 Step Time 7201 7201.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06607e+03 6.07894e+03 1.99128e+04 2.33403e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88191e+03 1.16603e+05 6.02785e+05 -4.14789e+06 9.82238e+03 Potential Pressure (bar) -3.38660e+06 -4.55231e+03 Step Time 7202 7202.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06818e+03 6.07972e+03 1.99128e+04 2.33369e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88166e+03 1.16603e+05 6.02805e+05 -4.14793e+06 9.82214e+03 Potential Pressure (bar) -3.38662e+06 -4.55220e+03 Step Time 7203 7203.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06612e+03 6.07883e+03 1.99128e+04 2.33375e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88190e+03 1.16603e+05 6.02807e+05 -4.14793e+06 9.82211e+03 Potential Pressure (bar) -3.38662e+06 -4.55193e+03 Step Time 7204 7204.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06925e+03 6.07999e+03 1.99128e+04 2.33360e+02 -1.09216e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88162e+03 1.16603e+05 6.02814e+05 -4.14795e+06 9.82200e+03 Potential Pressure (bar) -3.38663e+06 -4.55207e+03 Step Time 7205 7205.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06642e+03 6.07874e+03 1.99128e+04 2.33371e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88194e+03 1.16603e+05 6.02817e+05 -4.14795e+06 9.82197e+03 Potential Pressure (bar) -3.38663e+06 -4.55173e+03 Step Time 7206 7206.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07117e+03 6.08046e+03 1.99128e+04 2.33350e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88154e+03 1.16603e+05 6.02821e+05 -4.14796e+06 9.82183e+03 Potential Pressure (bar) -3.38663e+06 -4.55203e+03 Step Time 7207 7207.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06743e+03 6.07869e+03 1.99128e+04 2.33365e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88199e+03 1.16602e+05 6.02824e+05 -4.14796e+06 9.82181e+03 Potential Pressure (bar) -3.38663e+06 -4.55155e+03 Step Time 7208 7208.00000 Step Time 7209 7209.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06687e+03 6.07929e+03 1.99128e+04 2.33353e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88172e+03 1.16603e+05 6.02826e+05 -4.14797e+06 9.82176e+03 Potential Pressure (bar) -3.38664e+06 -4.55180e+03 Step Time 7210 7210.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06856e+03 6.07874e+03 1.99128e+04 2.33360e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88204e+03 1.16602e+05 6.02831e+05 -4.14798e+06 9.82175e+03 Potential Pressure (bar) -3.38664e+06 -4.55141e+03 Step Time 7211 7211.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06798e+03 6.07964e+03 1.99128e+04 2.33342e+02 -1.09217e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88164e+03 1.16603e+05 6.02832e+05 -4.14799e+06 9.82173e+03 Potential Pressure (bar) -3.38665e+06 -4.55171e+03 Step Time 7212 7212.00000 Step Time 7213 7213.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06623e+03 6.07878e+03 1.99128e+04 2.33349e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88187e+03 1.16603e+05 6.02835e+05 -4.14799e+06 9.82171e+03 Potential Pressure (bar) -3.38665e+06 -4.55145e+03 Step Time 7214 7214.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06909e+03 6.07991e+03 1.99128e+04 2.33334e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88157e+03 1.16603e+05 6.02840e+05 -4.14800e+06 9.82164e+03 Potential Pressure (bar) -3.38665e+06 -4.55166e+03 Step Time 7215 7215.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06674e+03 6.07871e+03 1.99128e+04 2.33343e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88191e+03 1.16602e+05 6.02842e+05 -4.14801e+06 9.82161e+03 Potential Pressure (bar) -3.38666e+06 -4.55130e+03 Step Time 7216 7216.00000 Step Time 7217 7217.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06658e+03 6.07918e+03 1.99128e+04 2.33334e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88170e+03 1.16603e+05 6.02844e+05 -4.14801e+06 9.82154e+03 Potential Pressure (bar) -3.38666e+06 -4.55146e+03 Step Time 7218 7218.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06737e+03 6.07868e+03 1.99129e+04 2.33335e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88194e+03 1.16602e+05 6.02849e+05 -4.14802e+06 9.82145e+03 Potential Pressure (bar) -3.38666e+06 -4.55116e+03 Step Time 7219 7219.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06725e+03 6.07940e+03 1.99129e+04 2.33321e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88164e+03 1.16603e+05 6.02851e+05 -4.14803e+06 9.82143e+03 Potential Pressure (bar) -3.38667e+06 -4.55140e+03 Step Time 7220 7220.00000 Step Time 7221 7221.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06614e+03 6.07879e+03 1.99129e+04 2.33325e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88181e+03 1.16603e+05 6.02853e+05 -4.14803e+06 9.82141e+03 Potential Pressure (bar) -3.38667e+06 -4.55118e+03 Step Time 7222 7222.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06788e+03 6.07955e+03 1.99129e+04 2.33311e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88159e+03 1.16603e+05 6.02858e+05 -4.14804e+06 9.82131e+03 Potential Pressure (bar) -3.38668e+06 -4.55132e+03 Step Time 7223 7223.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06640e+03 6.07872e+03 1.99129e+04 2.33320e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88184e+03 1.16603e+05 6.02860e+05 -4.14804e+06 9.82128e+03 Potential Pressure (bar) -3.38668e+06 -4.55105e+03 Step Time 7224 7224.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06906e+03 6.07987e+03 1.99129e+04 2.33304e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88151e+03 1.16603e+05 6.02864e+05 -4.14805e+06 9.82122e+03 Potential Pressure (bar) -3.38668e+06 -4.55130e+03 Step Time 7225 7225.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06713e+03 6.07867e+03 1.99129e+04 2.33315e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88189e+03 1.16603e+05 6.02867e+05 -4.14806e+06 9.82117e+03 Potential Pressure (bar) -3.38668e+06 -4.55090e+03 Step Time 7226 7226.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07125e+03 6.08040e+03 1.99129e+04 2.33293e+02 -1.09218e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88144e+03 1.16603e+05 6.02871e+05 -4.14807e+06 9.82112e+03 Potential Pressure (bar) -3.38669e+06 -4.55125e+03 Step Time 7227 7227.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06895e+03 6.07872e+03 1.99129e+04 2.33311e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88197e+03 1.16602e+05 6.02874e+05 -4.14807e+06 9.82109e+03 Potential Pressure (bar) -3.38669e+06 -4.55075e+03 Step Time 7228 7228.00000 Step Time 7229 7229.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06656e+03 6.07915e+03 1.99129e+04 2.33295e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88164e+03 1.16603e+05 6.02875e+05 -4.14808e+06 9.82106e+03 Potential Pressure (bar) -3.38670e+06 -4.55098e+03 Step Time 7230 7230.00000 Step Time 7231 7231.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06663e+03 6.07867e+03 1.99129e+04 2.33297e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88182e+03 1.16603e+05 6.02879e+05 -4.14808e+06 9.82099e+03 Potential Pressure (bar) -3.38670e+06 -4.55076e+03 Step Time 7232 7232.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06703e+03 6.07931e+03 1.99129e+04 2.33288e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88159e+03 1.16603e+05 6.02881e+05 -4.14809e+06 9.82096e+03 Potential Pressure (bar) -3.38671e+06 -4.55093e+03 Step Time 7233 7233.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06726e+03 6.07864e+03 1.99129e+04 2.33295e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88186e+03 1.16602e+05 6.02885e+05 -4.14810e+06 9.82087e+03 Potential Pressure (bar) -3.38671e+06 -4.55063e+03 Step Time 7234 7234.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06800e+03 6.07960e+03 1.99129e+04 2.33278e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88152e+03 1.16603e+05 6.02888e+05 -4.14811e+06 9.82086e+03 Potential Pressure (bar) -3.38671e+06 -4.55087e+03 Step Time 7235 7235.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06858e+03 6.07867e+03 1.99129e+04 2.33289e+02 -1.09222e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88192e+03 1.16602e+05 6.02891e+05 -4.14811e+06 9.82085e+03 Potential Pressure (bar) -3.38671e+06 -4.55047e+03 Step Time 7236 7236.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06999e+03 6.08010e+03 1.99129e+04 2.33267e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88144e+03 1.16603e+05 6.02894e+05 -4.14812e+06 9.82079e+03 Potential Pressure (bar) -3.38672e+06 -4.55087e+03 Step Time 7237 7237.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07134e+03 6.07884e+03 1.99129e+04 2.33286e+02 -1.09222e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88200e+03 1.16602e+05 6.02897e+05 -4.14812e+06 9.82067e+03 Potential Pressure (bar) -3.38672e+06 -4.55030e+03 Step Time 7238 7238.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07404e+03 6.08103e+03 1.99129e+04 2.33258e+02 -1.09219e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88132e+03 1.16603e+05 6.02900e+05 -4.14813e+06 9.82066e+03 Potential Pressure (bar) -3.38672e+06 -4.55090e+03 Step Time 7239 7239.00000 Step Time 7240 7240.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06616e+03 6.07874e+03 1.99129e+04 2.33273e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88172e+03 1.16603e+05 6.02902e+05 -4.14813e+06 9.82065e+03 Potential Pressure (bar) -3.38673e+06 -4.55045e+03 Step Time 7241 7241.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07783e+03 6.08186e+03 1.99129e+04 2.33234e+02 -1.09220e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88121e+03 1.16604e+05 6.02914e+05 -4.14816e+06 9.82047e+03 Potential Pressure (bar) -3.38673e+06 -4.55081e+03 Step Time 7242 7242.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06707e+03 6.07860e+03 1.99129e+04 2.33254e+02 -1.09222e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88179e+03 1.16603e+05 6.02916e+05 -4.14816e+06 9.82042e+03 Potential Pressure (bar) -3.38674e+06 -4.55016e+03 Step Time 7243 7243.00000 Step Time 7244 7244.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06888e+03 6.07982e+03 1.99129e+04 2.33242e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88143e+03 1.16603e+05 6.02919e+05 -4.14817e+06 9.82039e+03 Potential Pressure (bar) -3.38674e+06 -4.55045e+03 Step Time 7245 7245.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06840e+03 6.07862e+03 1.99129e+04 2.33252e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88185e+03 1.16602e+05 6.02922e+05 -4.14818e+06 9.82032e+03 Potential Pressure (bar) -3.38675e+06 -4.55001e+03 Step Time 7246 7246.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07139e+03 6.08043e+03 1.99129e+04 2.33230e+02 -1.09221e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88133e+03 1.16603e+05 6.02925e+05 -4.14819e+06 9.82032e+03 Potential Pressure (bar) -3.38675e+06 -4.55046e+03 Step Time 7247 7247.00000 Step Time 7248 7248.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06610e+03 6.07880e+03 1.99129e+04 2.33240e+02 -1.09222e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88164e+03 1.16603e+05 6.02926e+05 -4.14819e+06 9.82027e+03 Potential Pressure (bar) -3.38676e+06 -4.55012e+03 Step Time 7249 7249.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07383e+03 6.08090e+03 1.99129e+04 2.33202e+02 -1.09222e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88121e+03 1.16603e+05 6.02949e+05 -4.14824e+06 9.81986e+03 Potential Pressure (bar) -3.38678e+06 -4.55015e+03 Step Time 7250 7250.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06640e+03 6.07862e+03 1.99129e+04 2.33217e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88165e+03 1.16603e+05 6.02952e+05 -4.14824e+06 9.81984e+03 Potential Pressure (bar) -3.38679e+06 -4.54970e+03 Step Time 7251 7251.00000 Step Time 7252 7252.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06818e+03 6.07959e+03 1.99129e+04 2.33201e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88139e+03 1.16603e+05 6.02955e+05 -4.14825e+06 9.81977e+03 Potential Pressure (bar) -3.38679e+06 -4.54989e+03 Step Time 7253 7253.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06700e+03 6.07856e+03 1.99129e+04 2.33209e+02 -1.09225e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88170e+03 1.16603e+05 6.02958e+05 -4.14825e+06 9.81973e+03 Potential Pressure (bar) -3.38679e+06 -4.54954e+03 Step Time 7254 7254.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06978e+03 6.08001e+03 1.99129e+04 2.33191e+02 -1.09223e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88131e+03 1.16603e+05 6.02961e+05 -4.14826e+06 9.81966e+03 Potential Pressure (bar) -3.38680e+06 -4.54985e+03 Step Time 7255 7255.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06842e+03 6.07858e+03 1.99129e+04 2.33205e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88177e+03 1.16603e+05 6.02964e+05 -4.14827e+06 9.81963e+03 Potential Pressure (bar) -3.38680e+06 -4.54940e+03 Step Time 7256 7256.00000 Step Time 7257 7257.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06641e+03 6.07900e+03 1.99129e+04 2.33194e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88148e+03 1.16603e+05 6.02965e+05 -4.14827e+06 9.81964e+03 Potential Pressure (bar) -3.38680e+06 -4.54959e+03 Step Time 7258 7258.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06985e+03 6.07865e+03 1.99129e+04 2.33191e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88180e+03 1.16602e+05 6.02974e+05 -4.14829e+06 9.81950e+03 Potential Pressure (bar) -3.38681e+06 -4.54922e+03 Step Time 7259 7259.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06718e+03 6.07930e+03 1.99129e+04 2.33174e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88139e+03 1.16603e+05 6.02976e+05 -4.14829e+06 9.81944e+03 Potential Pressure (bar) -3.38681e+06 -4.54952e+03 Step Time 7260 7260.00000 Step Time 7261 7261.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06668e+03 6.07859e+03 1.99129e+04 2.33181e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88162e+03 1.16603e+05 6.02979e+05 -4.14830e+06 9.81943e+03 Potential Pressure (bar) -3.38681e+06 -4.54923e+03 Step Time 7262 7262.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06803e+03 6.07956e+03 1.99129e+04 2.33170e+02 -1.09224e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88133e+03 1.16603e+05 6.02982e+05 -4.14830e+06 9.81937e+03 Potential Pressure (bar) -3.38682e+06 -4.54944e+03 Step Time 7263 7263.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06749e+03 6.07855e+03 1.99129e+04 2.33178e+02 -1.09227e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88167e+03 1.16603e+05 6.02985e+05 -4.14831e+06 9.81928e+03 Potential Pressure (bar) -3.38682e+06 -4.54908e+03 Step Time 7264 7264.00000 Step Time 7265 7265.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06627e+03 6.07890e+03 1.99129e+04 2.33170e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88146e+03 1.16603e+05 6.02986e+05 -4.14831e+06 9.81926e+03 Potential Pressure (bar) -3.38682e+06 -4.54926e+03 Step Time 7266 7266.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06826e+03 6.07854e+03 1.99129e+04 2.33155e+02 -1.09228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88169e+03 1.16603e+05 6.02998e+05 -4.14834e+06 9.81909e+03 Potential Pressure (bar) -3.38684e+06 -4.54885e+03 Step Time 7267 7267.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06666e+03 6.07910e+03 1.99129e+04 2.33147e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88139e+03 1.16603e+05 6.03000e+05 -4.14835e+06 9.81906e+03 Potential Pressure (bar) -3.38684e+06 -4.54909e+03 Step Time 7268 7268.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06985e+03 6.07859e+03 1.99130e+04 2.33153e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88173e+03 1.16602e+05 6.03007e+05 -4.14836e+06 9.81898e+03 Potential Pressure (bar) -3.38684e+06 -4.54867e+03 Step Time 7269 7269.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06772e+03 6.07945e+03 1.99130e+04 2.33135e+02 -1.09226e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88130e+03 1.16603e+05 6.03008e+05 -4.14836e+06 9.81893e+03 Potential Pressure (bar) -3.38685e+06 -4.54901e+03 Step Time 7270 7270.00000 Step Time 7271 7271.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06656e+03 6.07857e+03 1.99130e+04 2.33141e+02 -1.09228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88155e+03 1.16603e+05 6.03011e+05 -4.14837e+06 9.81888e+03 Potential Pressure (bar) -3.38685e+06 -4.54875e+03 Step Time 7272 7272.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06882e+03 6.07974e+03 1.99130e+04 2.33128e+02 -1.09227e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88123e+03 1.16603e+05 6.03015e+05 -4.14838e+06 9.81880e+03 Potential Pressure (bar) -3.38686e+06 -4.54895e+03 Step Time 7273 7273.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06736e+03 6.07852e+03 1.99130e+04 2.33137e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88160e+03 1.16603e+05 6.03018e+05 -4.14838e+06 9.81882e+03 Potential Pressure (bar) -3.38686e+06 -4.54858e+03 Step Time 7274 7274.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07093e+03 6.08026e+03 1.99130e+04 2.33120e+02 -1.09227e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88115e+03 1.16603e+05 6.03021e+05 -4.14839e+06 9.81871e+03 Potential Pressure (bar) -3.38686e+06 -4.54897e+03 Step Time 7275 7275.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06927e+03 6.07856e+03 1.99130e+04 2.33135e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88167e+03 1.16602e+05 6.03024e+05 -4.14839e+06 9.81872e+03 Potential Pressure (bar) -3.38686e+06 -4.54845e+03 Step Time 7276 7276.00000 Step Time 7277 7277.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06651e+03 6.07900e+03 1.99130e+04 2.33123e+02 -1.09228e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88134e+03 1.16603e+05 6.03026e+05 -4.14840e+06 9.81866e+03 Potential Pressure (bar) -3.38687e+06 -4.54867e+03 Step Time 7278 7278.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07121e+03 6.07867e+03 1.99130e+04 2.33122e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88172e+03 1.16602e+05 6.03034e+05 -4.14841e+06 9.81856e+03 Potential Pressure (bar) -3.38687e+06 -4.54821e+03 Step Time 7279 7279.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06753e+03 6.07936e+03 1.99130e+04 2.33109e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88125e+03 1.16603e+05 6.03036e+05 -4.14842e+06 9.81850e+03 Potential Pressure (bar) -3.38688e+06 -4.54856e+03 Step Time 7280 7280.00000 Step Time 7281 7281.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06691e+03 6.07854e+03 1.99130e+04 2.33112e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88152e+03 1.16603e+05 6.03039e+05 -4.14842e+06 9.81851e+03 Potential Pressure (bar) -3.38688e+06 -4.54830e+03 Step Time 7282 7282.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06866e+03 6.07966e+03 1.99130e+04 2.33100e+02 -1.09229e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88119e+03 1.16603e+05 6.03042e+05 -4.14843e+06 9.81841e+03 Potential Pressure (bar) -3.38688e+06 -4.54855e+03 Step Time 7283 7283.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06801e+03 6.07853e+03 1.99130e+04 2.33108e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88158e+03 1.16603e+05 6.03045e+05 -4.14844e+06 9.81835e+03 Potential Pressure (bar) -3.38689e+06 -4.54814e+03 Step Time 7284 7284.00000 Step Time 7285 7285.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06632e+03 6.07888e+03 1.99130e+04 2.33100e+02 -1.09230e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88134e+03 1.16603e+05 6.03047e+05 -4.14844e+06 9.81833e+03 Potential Pressure (bar) -3.38689e+06 -4.54833e+03 Step Time 7286 7286.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06910e+03 6.07853e+03 1.99130e+04 2.33085e+02 -1.09232e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88159e+03 1.16603e+05 6.03058e+05 -4.14846e+06 9.81812e+03 Potential Pressure (bar) -3.38690e+06 -4.54792e+03 Step Time 7287 7287.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06684e+03 6.07910e+03 1.99130e+04 2.33075e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88125e+03 1.16603e+05 6.03060e+05 -4.14847e+06 9.81807e+03 Potential Pressure (bar) -3.38691e+06 -4.54818e+03 Step Time 7288 7288.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07116e+03 6.07866e+03 1.99130e+04 2.33082e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88165e+03 1.16602e+05 6.03066e+05 -4.14848e+06 9.81802e+03 Potential Pressure (bar) -3.38691e+06 -4.54774e+03 Step Time 7289 7289.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06822e+03 6.07954e+03 1.99130e+04 2.33067e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88115e+03 1.16603e+05 6.03068e+05 -4.14849e+06 9.81799e+03 Potential Pressure (bar) -3.38692e+06 -4.54813e+03 Step Time 7290 7290.00000 Step Time 7291 7291.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06674e+03 6.07853e+03 1.99130e+04 2.33072e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88144e+03 1.16603e+05 6.03071e+05 -4.14850e+06 9.81791e+03 Potential Pressure (bar) -3.38692e+06 -4.54781e+03 Step Time 7292 7292.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06968e+03 6.07992e+03 1.99130e+04 2.33064e+02 -1.09231e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88109e+03 1.16603e+05 6.03074e+05 -4.14851e+06 9.81785e+03 Potential Pressure (bar) -3.38693e+06 -4.54810e+03 Step Time 7293 7293.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06785e+03 6.07850e+03 1.99130e+04 2.33070e+02 -1.09234e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88149e+03 1.16603e+05 6.03077e+05 -4.14851e+06 9.81784e+03 Potential Pressure (bar) -3.38693e+06 -4.54764e+03 Step Time 7294 7294.00000 Step Time 7295 7295.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06653e+03 6.07897e+03 1.99130e+04 2.33062e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88124e+03 1.16603e+05 6.03079e+05 -4.14851e+06 9.81780e+03 Potential Pressure (bar) -3.38693e+06 -4.54785e+03 Step Time 7296 7296.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06899e+03 6.07853e+03 1.99130e+04 2.33055e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88152e+03 1.16603e+05 6.03086e+05 -4.14852e+06 9.81771e+03 Potential Pressure (bar) -3.38693e+06 -4.54750e+03 Step Time 7297 7297.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06729e+03 6.07925e+03 1.99130e+04 2.33047e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88116e+03 1.16603e+05 6.03088e+05 -4.14853e+06 9.81763e+03 Potential Pressure (bar) -3.38694e+06 -4.54782e+03 Step Time 7298 7298.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07112e+03 6.07867e+03 1.99130e+04 2.33053e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88158e+03 1.16602e+05 6.03093e+05 -4.14854e+06 9.81758e+03 Potential Pressure (bar) -3.38694e+06 -4.54732e+03 Step Time 7299 7299.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06912e+03 6.07975e+03 1.99130e+04 2.33037e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88106e+03 1.16603e+05 6.03095e+05 -4.14855e+06 9.81753e+03 Potential Pressure (bar) -3.38695e+06 -4.54777e+03 Step Time 7300 7300.00000 Step Time 7301 7301.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06659e+03 6.07853e+03 1.99130e+04 2.33045e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88136e+03 1.16603e+05 6.03097e+05 -4.14855e+06 9.81751e+03 Potential Pressure (bar) -3.38695e+06 -4.54741e+03 Step Time 7302 7302.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07098e+03 6.08019e+03 1.99130e+04 2.33027e+02 -1.09233e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88099e+03 1.16604e+05 6.03101e+05 -4.14856e+06 9.81741e+03 Potential Pressure (bar) -3.38695e+06 -4.54771e+03 Step Time 7303 7303.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06765e+03 6.07849e+03 1.99130e+04 2.33038e+02 -1.09236e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88143e+03 1.16603e+05 6.03104e+05 -4.14856e+06 9.81736e+03 Potential Pressure (bar) -3.38696e+06 -4.54725e+03 Step Time 7304 7304.00000 Step Time 7305 7305.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06686e+03 6.07908e+03 1.99130e+04 2.33026e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88115e+03 1.16603e+05 6.03106e+05 -4.14857e+06 9.81733e+03 Potential Pressure (bar) -3.38696e+06 -4.54748e+03 Step Time 7306 7306.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06881e+03 6.07853e+03 1.99130e+04 2.33030e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88146e+03 1.16603e+05 6.03111e+05 -4.14858e+06 9.81726e+03 Potential Pressure (bar) -3.38697e+06 -4.54713e+03 Step Time 7307 7307.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06792e+03 6.07941e+03 1.99130e+04 2.33017e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88107e+03 1.16603e+05 6.03113e+05 -4.14859e+06 9.81721e+03 Potential Pressure (bar) -3.38697e+06 -4.54742e+03 Step Time 7308 7308.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07108e+03 6.07867e+03 1.99130e+04 2.33023e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88153e+03 1.16602e+05 6.03117e+05 -4.14859e+06 9.81713e+03 Potential Pressure (bar) -3.38697e+06 -4.54695e+03 Step Time 7309 7309.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07027e+03 6.08004e+03 1.99130e+04 2.33004e+02 -1.09235e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88097e+03 1.16603e+05 6.03119e+05 -4.14860e+06 9.81713e+03 Potential Pressure (bar) -3.38698e+06 -4.54744e+03 Step Time 7310 7310.00000 Step Time 7311 7311.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06646e+03 6.07854e+03 1.99130e+04 2.33011e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88129e+03 1.16603e+05 6.03121e+05 -4.14860e+06 9.81707e+03 Potential Pressure (bar) -3.38698e+06 -4.54707e+03 Step Time 7312 7312.00000 Step Time 7313 7313.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06721e+03 6.07918e+03 1.99130e+04 2.33003e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88109e+03 1.16603e+05 6.03124e+05 -4.14861e+06 9.81703e+03 Potential Pressure (bar) -3.38698e+06 -4.54722e+03 Step Time 7314 7314.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06686e+03 6.07851e+03 1.99130e+04 2.33008e+02 -1.09238e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88133e+03 1.16603e+05 6.03127e+05 -4.14861e+06 9.81693e+03 Potential Pressure (bar) -3.38698e+06 -4.54696e+03 Step Time 7315 7315.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06807e+03 6.07943e+03 1.99130e+04 2.32993e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88103e+03 1.16603e+05 6.03130e+05 -4.14862e+06 9.81691e+03 Potential Pressure (bar) -3.38699e+06 -4.54717e+03 Step Time 7316 7316.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06776e+03 6.07850e+03 1.99130e+04 2.33001e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88137e+03 1.16603e+05 6.03133e+05 -4.14862e+06 9.81686e+03 Potential Pressure (bar) -3.38699e+06 -4.54682e+03 Step Time 7317 7317.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06981e+03 6.07988e+03 1.99130e+04 2.32986e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88095e+03 1.16603e+05 6.03136e+05 -4.14863e+06 9.81682e+03 Potential Pressure (bar) -3.38699e+06 -4.54717e+03 Step Time 7318 7318.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06979e+03 6.07857e+03 1.99130e+04 2.32998e+02 -1.09240e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88145e+03 1.16603e+05 6.03139e+05 -4.14863e+06 9.81679e+03 Potential Pressure (bar) -3.38699e+06 -4.54666e+03 Step Time 7319 7319.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07325e+03 6.08068e+03 1.99130e+04 2.32977e+02 -1.09237e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88084e+03 1.16604e+05 6.03142e+05 -4.14864e+06 9.81675e+03 Potential Pressure (bar) -3.38699e+06 -4.54721e+03 Step Time 7320 7320.00000 Step Time 7321 7321.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06618e+03 6.07865e+03 1.99131e+04 2.32986e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88120e+03 1.16603e+05 6.03143e+05 -4.14864e+06 9.81664e+03 Potential Pressure (bar) -3.38700e+06 -4.54680e+03 Step Time 7322 7322.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07656e+03 6.08131e+03 1.99130e+04 2.32940e+02 -1.09239e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88071e+03 1.16604e+05 6.03161e+05 -4.14868e+06 9.81639e+03 Potential Pressure (bar) -3.38701e+06 -4.54698e+03 Step Time 7323 7323.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06672e+03 6.07850e+03 1.99131e+04 2.32962e+02 -1.09242e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88123e+03 1.16603e+05 6.03163e+05 -4.14868e+06 9.81633e+03 Potential Pressure (bar) -3.38702e+06 -4.54641e+03 Step Time 7324 7324.00000 Step Time 7325 7325.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06886e+03 6.07962e+03 1.99130e+04 2.32949e+02 -1.09241e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88093e+03 1.16603e+05 6.03167e+05 -4.14869e+06 9.81635e+03 Potential Pressure (bar) -3.38703e+06 -4.54665e+03 Step Time 7326 7326.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06766e+03 6.07848e+03 1.99131e+04 2.32957e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88129e+03 1.16603e+05 6.03169e+05 -4.14870e+06 9.81625e+03 Potential Pressure (bar) -3.38703e+06 -4.54624e+03 Step Time 7327 7327.00000 Step Time 7328 7328.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06645e+03 6.07887e+03 1.99131e+04 2.32950e+02 -1.09241e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88106e+03 1.16603e+05 6.03171e+05 -4.14870e+06 9.81619e+03 Potential Pressure (bar) -3.38703e+06 -4.54642e+03 Step Time 7329 7329.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06860e+03 6.07850e+03 1.99131e+04 2.32948e+02 -1.09244e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88132e+03 1.16603e+05 6.03179e+05 -4.14872e+06 9.81603e+03 Potential Pressure (bar) -3.38704e+06 -4.54608e+03 Step Time 7330 7330.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06702e+03 6.07910e+03 1.99131e+04 2.32934e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88098e+03 1.16603e+05 6.03181e+05 -4.14872e+06 9.81603e+03 Potential Pressure (bar) -3.38704e+06 -4.54634e+03 Step Time 7331 7331.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07038e+03 6.07860e+03 1.99131e+04 2.32941e+02 -1.09245e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88137e+03 1.16603e+05 6.03187e+05 -4.14873e+06 9.81596e+03 Potential Pressure (bar) -3.38704e+06 -4.54591e+03 Step Time 7332 7332.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06843e+03 6.07952e+03 1.99131e+04 2.32924e+02 -1.09243e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88089e+03 1.16603e+05 6.03188e+05 -4.14874e+06 9.81600e+03 Potential Pressure (bar) -3.38705e+06 -4.54628e+03 Step Time 7333 7333.00000 Step Time 7334 7334.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06661e+03 6.07852e+03 1.99131e+04 2.32930e+02 -1.09244e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88117e+03 1.16603e+05 6.03191e+05 -4.14874e+06 9.81587e+03 Potential Pressure (bar) -3.38706e+06 -4.54601e+03 Step Time 7335 7335.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06987e+03 6.07987e+03 1.99131e+04 2.32913e+02 -1.09244e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88083e+03 1.16603e+05 6.03195e+05 -4.14876e+06 9.81585e+03 Potential Pressure (bar) -3.38706e+06 -4.54625e+03 Step Time 7336 7336.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06750e+03 6.07848e+03 1.99131e+04 2.32923e+02 -1.09245e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88123e+03 1.16603e+05 6.03197e+05 -4.14876e+06 9.81574e+03 Potential Pressure (bar) -3.38706e+06 -4.54583e+03 Step Time 7337 7337.00000 Step Time 7338 7338.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06669e+03 6.07897e+03 1.99131e+04 2.32911e+02 -1.09244e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88097e+03 1.16603e+05 6.03199e+05 -4.14876e+06 9.81572e+03 Potential Pressure (bar) -3.38707e+06 -4.54603e+03 Step Time 7339 7339.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06847e+03 6.07850e+03 1.99131e+04 2.32916e+02 -1.09247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88125e+03 1.16603e+05 6.03205e+05 -4.14877e+06 9.81559e+03 Potential Pressure (bar) -3.38707e+06 -4.54571e+03 Step Time 7340 7340.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06750e+03 6.07925e+03 1.99131e+04 2.32902e+02 -1.09245e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88090e+03 1.16603e+05 6.03207e+05 -4.14878e+06 9.81559e+03 Potential Pressure (bar) -3.38707e+06 -4.54599e+03 Step Time 7341 7341.00000 Step Time 7342 7342.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06642e+03 6.07854e+03 1.99131e+04 2.32907e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88111e+03 1.16603e+05 6.03209e+05 -4.14878e+06 9.81551e+03 Potential Pressure (bar) -3.38708e+06 -4.54575e+03 Step Time 7343 7343.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06832e+03 6.07947e+03 1.99131e+04 2.32893e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88084e+03 1.16603e+05 6.03214e+05 -4.14879e+06 9.81546e+03 Potential Pressure (bar) -3.38708e+06 -4.54590e+03 Step Time 7344 7344.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06691e+03 6.07848e+03 1.99131e+04 2.32902e+02 -1.09247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88114e+03 1.16603e+05 6.03216e+05 -4.14879e+06 9.81540e+03 Potential Pressure (bar) -3.38708e+06 -4.54559e+03 Step Time 7345 7345.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06984e+03 6.07984e+03 1.99131e+04 2.32881e+02 -1.09246e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88077e+03 1.16604e+05 6.03219e+05 -4.14880e+06 9.81539e+03 Potential Pressure (bar) -3.38708e+06 -4.54589e+03 Step Time 7346 7346.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06814e+03 6.07846e+03 1.99131e+04 2.32896e+02 -1.09249e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88121e+03 1.16603e+05 6.03222e+05 -4.14881e+06 9.81534e+03 Potential Pressure (bar) -3.38709e+06 -4.54546e+03 Step Time 7347 7347.00000 Step Time 7348 7348.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06658e+03 6.07890e+03 1.99131e+04 2.32884e+02 -1.09247e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88094e+03 1.16603e+05 6.03223e+05 -4.14881e+06 9.81529e+03 Potential Pressure (bar) -3.38709e+06 -4.54563e+03 Step Time 7349 7349.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06938e+03 6.07850e+03 1.99131e+04 2.32885e+02 -1.09250e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88122e+03 1.16603e+05 6.03231e+05 -4.14883e+06 9.81516e+03 Potential Pressure (bar) -3.38710e+06 -4.54528e+03 Step Time 7350 7350.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06736e+03 6.07917e+03 1.99131e+04 2.32871e+02 -1.09248e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88086e+03 1.16603e+05 6.03233e+05 -4.14883e+06 9.81516e+03 Potential Pressure (bar) -3.38710e+06 -4.54556e+03 Step Time 7351 7351.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07173e+03 6.07867e+03 1.99131e+04 2.32883e+02 -1.09251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88129e+03 1.16602e+05 6.03238e+05 -4.14884e+06 9.81504e+03 Potential Pressure (bar) -3.38710e+06 -4.54513e+03 Step Time 7352 7352.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06926e+03 6.07970e+03 1.99131e+04 2.32861e+02 -1.09248e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88075e+03 1.16604e+05 6.03240e+05 -4.14885e+06 9.81502e+03 Potential Pressure (bar) -3.38711e+06 -4.54556e+03 Step Time 7353 7353.00000 Step Time 7354 7354.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06673e+03 6.07848e+03 1.99131e+04 2.32871e+02 -1.09251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88107e+03 1.16603e+05 6.03242e+05 -4.14886e+06 9.81491e+03 Potential Pressure (bar) -3.38712e+06 -4.54520e+03 Step Time 7355 7355.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07120e+03 6.08016e+03 1.99131e+04 2.32850e+02 -1.09249e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88067e+03 1.16604e+05 6.03247e+05 -4.14887e+06 9.81490e+03 Potential Pressure (bar) -3.38712e+06 -4.54551e+03 Step Time 7356 7356.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06792e+03 6.07847e+03 1.99131e+04 2.32864e+02 -1.09252e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88113e+03 1.16603e+05 6.03249e+05 -4.14887e+06 9.81485e+03 Potential Pressure (bar) -3.38712e+06 -4.54505e+03 Step Time 7357 7357.00000 Step Time 7358 7358.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06692e+03 6.07902e+03 1.99131e+04 2.32851e+02 -1.09250e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88085e+03 1.16603e+05 6.03251e+05 -4.14888e+06 9.81481e+03 Potential Pressure (bar) -3.38713e+06 -4.54527e+03 Step Time 7359 7359.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06918e+03 6.07851e+03 1.99131e+04 2.32858e+02 -1.09253e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88117e+03 1.16603e+05 6.03256e+05 -4.14888e+06 9.81475e+03 Potential Pressure (bar) -3.38713e+06 -4.54489e+03 Step Time 7360 7360.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06800e+03 6.07936e+03 1.99131e+04 2.32842e+02 -1.09251e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88076e+03 1.16603e+05 6.03258e+05 -4.14889e+06 9.81473e+03 Potential Pressure (bar) -3.38713e+06 -4.54523e+03 Step Time 7361 7361.00000 Step Time 7362 7362.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06648e+03 6.07852e+03 1.99131e+04 2.32848e+02 -1.09252e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88100e+03 1.16603e+05 6.03260e+05 -4.14889e+06 9.81464e+03 Potential Pressure (bar) -3.38714e+06 -4.54493e+03 Step Time 7363 7363.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06912e+03 6.07963e+03 1.99131e+04 2.32831e+02 -1.09252e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88070e+03 1.16603e+05 6.03264e+05 -4.14890e+06 9.81456e+03 Potential Pressure (bar) -3.38714e+06 -4.54516e+03 Step Time 7364 7364.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06713e+03 6.07846e+03 1.99131e+04 2.32840e+02 -1.09253e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88104e+03 1.16603e+05 6.03267e+05 -4.14891e+06 9.81453e+03 Potential Pressure (bar) -3.38714e+06 -4.54481e+03 Step Time 7365 7365.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07116e+03 6.08013e+03 1.99131e+04 2.32824e+02 -1.09252e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88062e+03 1.16604e+05 6.03270e+05 -4.14892e+06 9.81445e+03 Potential Pressure (bar) -3.38714e+06 -4.54516e+03 Step Time 7366 7366.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06873e+03 6.07850e+03 1.99131e+04 2.32839e+02 -1.09255e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88111e+03 1.16603e+05 6.03273e+05 -4.14892e+06 9.81440e+03 Potential Pressure (bar) -3.38715e+06 -4.54462e+03 Step Time 7367 7367.00000 Step Time 7368 7368.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06674e+03 6.07895e+03 1.99131e+04 2.32825e+02 -1.09254e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88081e+03 1.16603e+05 6.03274e+05 -4.14892e+06 9.81435e+03 Potential Pressure (bar) -3.38715e+06 -4.54487e+03 Step Time 7369 7369.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07036e+03 6.07859e+03 1.99131e+04 2.32827e+02 -1.09256e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88115e+03 1.16603e+05 6.03282e+05 -4.14894e+06 9.81428e+03 Potential Pressure (bar) -3.38716e+06 -4.54447e+03 Step Time 7370 7370.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06781e+03 6.07930e+03 1.99131e+04 2.32808e+02 -1.09254e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88071e+03 1.16603e+05 6.03283e+05 -4.14894e+06 9.81421e+03 Potential Pressure (bar) -3.38716e+06 -4.54482e+03 Step Time 7371 7371.00000 Step Time 7372 7372.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06676e+03 6.07849e+03 1.99131e+04 2.32817e+02 -1.09256e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88097e+03 1.16603e+05 6.03286e+05 -4.14895e+06 9.81419e+03 Potential Pressure (bar) -3.38716e+06 -4.54454e+03 Step Time 7373 7373.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06896e+03 6.07960e+03 1.99131e+04 2.32799e+02 -1.09255e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88065e+03 1.16603e+05 6.03289e+05 -4.14896e+06 9.81412e+03 Potential Pressure (bar) -3.38717e+06 -4.54480e+03 Step Time 7374 7374.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06767e+03 6.07847e+03 1.99132e+04 2.32811e+02 -1.09257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88103e+03 1.16603e+05 6.03292e+05 -4.14896e+06 9.81407e+03 Potential Pressure (bar) -3.38717e+06 -4.54440e+03 Step Time 7375 7375.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07111e+03 6.08013e+03 1.99131e+04 2.32792e+02 -1.09255e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88057e+03 1.16604e+05 6.03295e+05 -4.14897e+06 9.81406e+03 Potential Pressure (bar) -3.38717e+06 -4.54476e+03 Step Time 7376 7376.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06977e+03 6.07856e+03 1.99132e+04 2.32807e+02 -1.09258e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88111e+03 1.16603e+05 6.03298e+05 -4.14897e+06 9.81394e+03 Potential Pressure (bar) -3.38717e+06 -4.54424e+03 Step Time 7377 7377.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07533e+03 6.08106e+03 1.99131e+04 2.32781e+02 -1.09255e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88045e+03 1.16604e+05 6.03301e+05 -4.14898e+06 9.81390e+03 Potential Pressure (bar) -3.38718e+06 -4.54477e+03 Step Time 7378 7378.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07444e+03 6.07894e+03 1.99132e+04 2.32808e+02 -1.09260e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88122e+03 1.16602e+05 6.03304e+05 -4.14898e+06 9.81387e+03 Potential Pressure (bar) -3.38718e+06 -4.54404e+03 Step Time 7379 7379.00000 Step Time 7380 7380.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06671e+03 6.07895e+03 1.99132e+04 2.32789e+02 -1.09257e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88075e+03 1.16603e+05 6.03305e+05 -4.14899e+06 9.81383e+03 Potential Pressure (bar) -3.38719e+06 -4.54440e+03 Step Time 7381 7381.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07899e+03 6.07930e+03 1.99132e+04 2.32790e+02 -1.09262e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88130e+03 1.16602e+05 6.03316e+05 -4.14901e+06 9.81357e+03 Potential Pressure (bar) -3.38719e+06 -4.54383e+03 Step Time 7382 7382.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06857e+03 6.07950e+03 1.99132e+04 2.32761e+02 -1.09259e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88061e+03 1.16603e+05 6.03318e+05 -4.14902e+06 9.81355e+03 Potential Pressure (bar) -3.38720e+06 -4.54433e+03 Step Time 7383 7383.00000 Step Time 7384 7384.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06862e+03 6.07846e+03 1.99132e+04 2.32776e+02 -1.09261e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88101e+03 1.16603e+05 6.03321e+05 -4.14903e+06 9.81350e+03 Potential Pressure (bar) -3.38721e+06 -4.54390e+03 Step Time 7385 7385.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07075e+03 6.08004e+03 1.99132e+04 2.32755e+02 -1.09259e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88052e+03 1.16604e+05 6.03324e+05 -4.14903e+06 9.81354e+03 Potential Pressure (bar) -3.38721e+06 -4.54432e+03 Step Time 7386 7386.00000 Step Time 7387 7387.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06628e+03 6.07861e+03 1.99132e+04 2.32765e+02 -1.09261e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88081e+03 1.16603e+05 6.03325e+05 -4.14904e+06 9.81347e+03 Potential Pressure (bar) -3.38722e+06 -4.54398e+03 Step Time 7388 7388.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07285e+03 6.08040e+03 1.99132e+04 2.32727e+02 -1.09260e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88041e+03 1.16604e+05 6.03339e+05 -4.14907e+06 9.81315e+03 Potential Pressure (bar) -3.38722e+06 -4.54412e+03 Step Time 7389 7389.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06663e+03 6.07849e+03 1.99132e+04 2.32743e+02 -1.09263e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88084e+03 1.16603e+05 6.03341e+05 -4.14907e+06 9.81311e+03 Potential Pressure (bar) -3.38723e+06 -4.54367e+03 Step Time 7390 7390.00000 Step Time 7391 7391.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06797e+03 6.07929e+03 1.99132e+04 2.32731e+02 -1.09263e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88058e+03 1.16603e+05 6.03344e+05 -4.14908e+06 9.81306e+03 Potential Pressure (bar) -3.38723e+06 -4.54386e+03 Step Time 7392 7392.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06723e+03 6.07846e+03 1.99132e+04 2.32742e+02 -1.09265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88088e+03 1.16603e+05 6.03347e+05 -4.14908e+06 9.81299e+03 Potential Pressure (bar) -3.38723e+06 -4.54356e+03 Step Time 7393 7393.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06935e+03 6.07965e+03 1.99132e+04 2.32724e+02 -1.09263e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88050e+03 1.16603e+05 6.03350e+05 -4.14909e+06 9.81296e+03 Potential Pressure (bar) -3.38724e+06 -4.54383e+03 Step Time 7394 7394.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06861e+03 6.07849e+03 1.99132e+04 2.32737e+02 -1.09266e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88094e+03 1.16603e+05 6.03353e+05 -4.14909e+06 9.81289e+03 Potential Pressure (bar) -3.38724e+06 -4.54341e+03 Step Time 7395 7395.00000 Step Time 7396 7396.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06649e+03 6.07879e+03 1.99132e+04 2.32724e+02 -1.09265e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88067e+03 1.16603e+05 6.03354e+05 -4.14909e+06 9.81284e+03 Potential Pressure (bar) -3.38724e+06 -4.54361e+03 Step Time 7397 7397.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06997e+03 6.07859e+03 1.99132e+04 2.32725e+02 -1.09268e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88096e+03 1.16603e+05 6.03366e+05 -4.14911e+06 9.81262e+03 Potential Pressure (bar) -3.38725e+06 -4.54320e+03 Step Time 7398 7398.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06715e+03 6.07904e+03 1.99132e+04 2.32707e+02 -1.09266e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88058e+03 1.16603e+05 6.03367e+05 -4.14912e+06 9.81256e+03 Potential Pressure (bar) -3.38726e+06 -4.54348e+03 Step Time 7399 7399.00000 Step Time 7400 7400.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06692e+03 6.07848e+03 1.99132e+04 2.32712e+02 -1.09268e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88080e+03 1.16603e+05 6.03371e+05 -4.14912e+06 9.81254e+03 Potential Pressure (bar) -3.38726e+06 -4.54322e+03 Step Time 7401 7401.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06788e+03 6.07925e+03 1.99132e+04 2.32696e+02 -1.09267e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88052e+03 1.16603e+05 6.03373e+05 -4.14913e+06 9.81251e+03 Potential Pressure (bar) -3.38726e+06 -4.54340e+03 Step Time 7402 7402.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06772e+03 6.07847e+03 1.99132e+04 2.32707e+02 -1.09269e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88084e+03 1.16603e+05 6.03376e+05 -4.14914e+06 9.81243e+03 Potential Pressure (bar) -3.38726e+06 -4.54309e+03 Step Time 7403 7403.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06933e+03 6.07964e+03 1.99132e+04 2.32685e+02 -1.09267e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88044e+03 1.16603e+05 6.03379e+05 -4.14914e+06 9.81242e+03 Potential Pressure (bar) -3.38727e+06 -4.54336e+03 Step Time 7404 7404.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06949e+03 6.07854e+03 1.99132e+04 2.32703e+02 -1.09270e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88090e+03 1.16603e+05 6.03382e+05 -4.14915e+06 9.81233e+03 Potential Pressure (bar) -3.38727e+06 -4.54297e+03 Step Time 7405 7405.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07224e+03 6.08033e+03 1.99132e+04 2.32674e+02 -1.09268e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88034e+03 1.16604e+05 6.03384e+05 -4.14916e+06 9.81231e+03 Potential Pressure (bar) -3.38727e+06 -4.54339e+03 Step Time 7406 7406.00000 Step Time 7407 7407.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06632e+03 6.07860e+03 1.99132e+04 2.32687e+02 -1.09270e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88067e+03 1.16603e+05 6.03386e+05 -4.14916e+06 9.81229e+03 Potential Pressure (bar) -3.38728e+06 -4.54306e+03 Step Time 7408 7408.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07508e+03 6.08085e+03 1.99132e+04 2.32656e+02 -1.09269e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88023e+03 1.16604e+05 6.03402e+05 -4.14919e+06 9.81193e+03 Potential Pressure (bar) -3.38728e+06 -4.54321e+03 Step Time 7409 7409.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06682e+03 6.07847e+03 1.99132e+04 2.32674e+02 -1.09272e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88071e+03 1.16603e+05 6.03404e+05 -4.14919e+06 9.81191e+03 Potential Pressure (bar) -3.38730e+06 -4.54275e+03 Step Time 7410 7410.00000 Step Time 7411 7411.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06853e+03 6.07942e+03 1.99132e+04 2.32656e+02 -1.09272e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88041e+03 1.16603e+05 6.03407e+05 -4.14920e+06 9.81186e+03 Potential Pressure (bar) -3.38730e+06 -4.54294e+03 Step Time 7412 7412.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06763e+03 6.07846e+03 1.99132e+04 2.32668e+02 -1.09274e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88076e+03 1.16603e+05 6.03410e+05 -4.14921e+06 9.81180e+03 Potential Pressure (bar) -3.38730e+06 -4.54258e+03 Step Time 7413 7413.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07037e+03 6.07988e+03 1.99132e+04 2.32647e+02 -1.09272e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88033e+03 1.16604e+05 6.03412e+05 -4.14921e+06 9.81176e+03 Potential Pressure (bar) -3.38730e+06 -4.54294e+03 Step Time 7414 7414.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06948e+03 6.07854e+03 1.99133e+04 2.32664e+02 -1.09275e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88083e+03 1.16603e+05 6.03415e+05 -4.14922e+06 9.81170e+03 Potential Pressure (bar) -3.38730e+06 -4.54246e+03 Step Time 7415 7415.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07394e+03 6.08069e+03 1.99132e+04 2.32635e+02 -1.09273e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88022e+03 1.16604e+05 6.03418e+05 -4.14923e+06 9.81164e+03 Potential Pressure (bar) -3.38731e+06 -4.54295e+03 Step Time 7416 7416.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07357e+03 6.07887e+03 1.99133e+04 2.32664e+02 -1.09276e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88095e+03 1.16602e+05 6.03421e+05 -4.14923e+06 9.81159e+03 Potential Pressure (bar) -3.38731e+06 -4.54226e+03 Step Time 7417 7417.00000 Step Time 7418 7418.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06669e+03 6.07887e+03 1.99133e+04 2.32643e+02 -1.09274e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88050e+03 1.16603e+05 6.03422e+05 -4.14924e+06 9.81157e+03 Potential Pressure (bar) -3.38732e+06 -4.54258e+03 Step Time 7419 7419.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07753e+03 6.07926e+03 1.99133e+04 2.32648e+02 -1.09279e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88099e+03 1.16602e+05 6.03434e+05 -4.14926e+06 9.81129e+03 Potential Pressure (bar) -3.38732e+06 -4.54205e+03 Step Time 7420 7420.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06822e+03 6.07937e+03 1.99133e+04 2.32624e+02 -1.09276e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88036e+03 1.16603e+05 6.03436e+05 -4.14927e+06 9.81127e+03 Potential Pressure (bar) -3.38734e+06 -4.54248e+03 Step Time 7421 7421.00000 Step Time 7422 7422.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06849e+03 6.07849e+03 1.99133e+04 2.32633e+02 -1.09278e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88073e+03 1.16603e+05 6.03439e+05 -4.14927e+06 9.81126e+03 Potential Pressure (bar) -3.38734e+06 -4.54214e+03 Step Time 7423 7423.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07008e+03 6.07983e+03 1.99133e+04 2.32611e+02 -1.09277e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88028e+03 1.16604e+05 6.03442e+05 -4.14928e+06 9.81119e+03 Potential Pressure (bar) -3.38734e+06 -4.54246e+03 Step Time 7424 7424.00000 Step Time 7425 7425.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06637e+03 6.07861e+03 1.99133e+04 2.32620e+02 -1.09278e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88054e+03 1.16603e+05 6.03443e+05 -4.14928e+06 9.81112e+03 Potential Pressure (bar) -3.38735e+06 -4.54218e+03 Step Time 7426 7426.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07186e+03 6.08016e+03 1.99133e+04 2.32594e+02 -1.09279e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88018e+03 1.16604e+05 6.03455e+05 -4.14931e+06 9.81089e+03 Potential Pressure (bar) -3.38736e+06 -4.54231e+03 Step Time 7427 7427.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06671e+03 6.07849e+03 1.99133e+04 2.32607e+02 -1.09281e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88058e+03 1.16603e+05 6.03457e+05 -4.14931e+06 9.81090e+03 Potential Pressure (bar) -3.38736e+06 -4.54192e+03 Step Time 7428 7428.00000 Step Time 7429 7429.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06774e+03 6.07920e+03 1.99133e+04 2.32593e+02 -1.09280e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88034e+03 1.16603e+05 6.03460e+05 -4.14932e+06 9.81075e+03 Potential Pressure (bar) -3.38736e+06 -4.54209e+03 Step Time 7430 7430.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06724e+03 6.07848e+03 1.99133e+04 2.32602e+02 -1.09282e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88061e+03 1.16603e+05 6.03463e+05 -4.14932e+06 9.81078e+03 Potential Pressure (bar) -3.38737e+06 -4.54182e+03 Step Time 7431 7431.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06892e+03 6.07951e+03 1.99133e+04 2.32582e+02 -1.09281e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88027e+03 1.16604e+05 6.03466e+05 -4.14933e+06 9.81069e+03 Potential Pressure (bar) -3.38737e+06 -4.54206e+03 Step Time 7432 7432.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06845e+03 6.07851e+03 1.99133e+04 2.32597e+02 -1.09284e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88066e+03 1.16603e+05 6.03469e+05 -4.14933e+06 9.81067e+03 Potential Pressure (bar) -3.38737e+06 -4.54167e+03 Step Time 7433 7433.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07122e+03 6.08004e+03 1.99133e+04 2.32574e+02 -1.09281e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88018e+03 1.16604e+05 6.03472e+05 -4.14934e+06 9.81058e+03 Potential Pressure (bar) -3.38737e+06 -4.54204e+03 Step Time 7434 7434.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07110e+03 6.07869e+03 1.99133e+04 2.32594e+02 -1.09285e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88075e+03 1.16603e+05 6.03474e+05 -4.14934e+06 9.81052e+03 Potential Pressure (bar) -3.38737e+06 -4.54151e+03 Step Time 7435 7435.00000 Step Time 7436 7436.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06659e+03 6.07880e+03 1.99133e+04 2.32579e+02 -1.09283e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88040e+03 1.16603e+05 6.03476e+05 -4.14935e+06 9.81050e+03 Potential Pressure (bar) -3.38738e+06 -4.54174e+03 Step Time 7437 7437.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07366e+03 6.07893e+03 1.99133e+04 2.32570e+02 -1.09287e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88077e+03 1.16602e+05 6.03490e+05 -4.14937e+06 9.81021e+03 Potential Pressure (bar) -3.38738e+06 -4.54122e+03 Step Time 7438 7438.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06757e+03 6.07913e+03 1.99133e+04 2.32550e+02 -1.09285e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88027e+03 1.16603e+05 6.03492e+05 -4.14938e+06 9.81016e+03 Potential Pressure (bar) -3.38739e+06 -4.54159e+03 Step Time 7439 7439.00000 Step Time 7440 7440.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06779e+03 6.07850e+03 1.99133e+04 2.32560e+02 -1.09287e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88057e+03 1.16603e+05 6.03495e+05 -4.14938e+06 9.81007e+03 Potential Pressure (bar) -3.38740e+06 -4.54130e+03 Step Time 7441 7441.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06875e+03 6.07946e+03 1.99133e+04 2.32544e+02 -1.09286e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88020e+03 1.16603e+05 6.03498e+05 -4.14939e+06 9.81000e+03 Potential Pressure (bar) -3.38740e+06 -4.54154e+03 Step Time 7442 7442.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06938e+03 6.07857e+03 1.99133e+04 2.32557e+02 -1.09289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88063e+03 1.16603e+05 6.03501e+05 -4.14940e+06 9.80993e+03 Potential Pressure (bar) -3.38740e+06 -4.54112e+03 Step Time 7443 7443.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07116e+03 6.08005e+03 1.99133e+04 2.32534e+02 -1.09286e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88010e+03 1.16604e+05 6.03503e+05 -4.14941e+06 9.80992e+03 Potential Pressure (bar) -3.38741e+06 -4.54157e+03 Step Time 7444 7444.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07273e+03 6.07883e+03 1.99133e+04 2.32555e+02 -1.09290e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88072e+03 1.16602e+05 6.03507e+05 -4.14941e+06 9.80986e+03 Potential Pressure (bar) -3.38741e+06 -4.54097e+03 Step Time 7445 7445.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07607e+03 6.08115e+03 1.99133e+04 2.32524e+02 -1.09287e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87997e+03 1.16604e+05 6.03509e+05 -4.14942e+06 9.80978e+03 Potential Pressure (bar) -3.38741e+06 -4.54159e+03 Step Time 7446 7446.00000 Step Time 7447 7447.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06646e+03 6.07858e+03 1.99133e+04 2.32539e+02 -1.09289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88041e+03 1.16603e+05 6.03511e+05 -4.14942e+06 9.80975e+03 Potential Pressure (bar) -3.38742e+06 -4.54113e+03 Step Time 7448 7448.00000 Step Time 7449 7449.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06956e+03 6.07965e+03 1.99133e+04 2.32522e+02 -1.09289e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88013e+03 1.16603e+05 6.03516e+05 -4.14943e+06 9.80966e+03 Potential Pressure (bar) -3.38742e+06 -4.54130e+03 Step Time 7450 7450.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06685e+03 6.07850e+03 1.99133e+04 2.32533e+02 -1.09291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88045e+03 1.16603e+05 6.03518e+05 -4.14944e+06 9.80962e+03 Potential Pressure (bar) -3.38743e+06 -4.54094e+03 Step Time 7451 7451.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07147e+03 6.08014e+03 1.99133e+04 2.32510e+02 -1.09290e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88005e+03 1.16604e+05 6.03523e+05 -4.14945e+06 9.80959e+03 Potential Pressure (bar) -3.38743e+06 -4.54125e+03 Step Time 7452 7452.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06797e+03 6.07849e+03 1.99133e+04 2.32526e+02 -1.09292e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88051e+03 1.16603e+05 6.03525e+05 -4.14945e+06 9.80949e+03 Potential Pressure (bar) -3.38743e+06 -4.54077e+03 Step Time 7453 7453.00000 Step Time 7454 7454.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06715e+03 6.07902e+03 1.99133e+04 2.32512e+02 -1.09291e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88022e+03 1.16603e+05 6.03527e+05 -4.14946e+06 9.80942e+03 Potential Pressure (bar) -3.38744e+06 -4.54100e+03 Step Time 7455 7455.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06921e+03 6.07855e+03 1.99134e+04 2.32519e+02 -1.09294e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88054e+03 1.16603e+05 6.03532e+05 -4.14946e+06 9.80931e+03 Potential Pressure (bar) -3.38744e+06 -4.54062e+03 Step Time 7456 7456.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06827e+03 6.07935e+03 1.99133e+04 2.32500e+02 -1.09292e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88014e+03 1.16603e+05 6.03533e+05 -4.14947e+06 9.80932e+03 Potential Pressure (bar) -3.38744e+06 -4.54095e+03 Step Time 7457 7457.00000 Step Time 7458 7458.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06663e+03 6.07854e+03 1.99134e+04 2.32507e+02 -1.09294e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88038e+03 1.16603e+05 6.03536e+05 -4.14947e+06 9.80921e+03 Potential Pressure (bar) -3.38745e+06 -4.54070e+03 Step Time 7459 7459.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06939e+03 6.07962e+03 1.99133e+04 2.32489e+02 -1.09293e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88007e+03 1.16603e+05 6.03540e+05 -4.14948e+06 9.80920e+03 Potential Pressure (bar) -3.38745e+06 -4.54090e+03 Step Time 7460 7460.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06722e+03 6.07850e+03 1.99134e+04 2.32502e+02 -1.09295e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88042e+03 1.16603e+05 6.03543e+05 -4.14949e+06 9.80916e+03 Potential Pressure (bar) -3.38745e+06 -4.54057e+03 Step Time 7461 7461.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07147e+03 6.08011e+03 1.99133e+04 2.32479e+02 -1.09293e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88000e+03 1.16604e+05 6.03546e+05 -4.14950e+06 9.80902e+03 Potential Pressure (bar) -3.38746e+06 -4.54091e+03 Step Time 7462 7462.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06874e+03 6.07853e+03 1.99134e+04 2.32498e+02 -1.09296e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88050e+03 1.16603e+05 6.03549e+05 -4.14950e+06 9.80900e+03 Potential Pressure (bar) -3.38746e+06 -4.54041e+03 Step Time 7463 7463.00000 Step Time 7464 7464.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06697e+03 6.07896e+03 1.99134e+04 2.32484e+02 -1.09295e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88019e+03 1.16603e+05 6.03551e+05 -4.14950e+06 9.80894e+03 Potential Pressure (bar) -3.38746e+06 -4.54064e+03 Step Time 7465 7465.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07036e+03 6.07859e+03 1.99134e+04 2.32490e+02 -1.09298e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88053e+03 1.16603e+05 6.03557e+05 -4.14952e+06 9.80884e+03 Potential Pressure (bar) -3.38746e+06 -4.54024e+03 Step Time 7466 7466.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06808e+03 6.07929e+03 1.99134e+04 2.32469e+02 -1.09296e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88009e+03 1.16603e+05 6.03559e+05 -4.14952e+06 9.80887e+03 Potential Pressure (bar) -3.38747e+06 -4.54058e+03 Step Time 7467 7467.00000 Step Time 7468 7468.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06691e+03 6.07850e+03 1.99134e+04 2.32476e+02 -1.09297e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88035e+03 1.16603e+05 6.03561e+05 -4.14952e+06 9.80872e+03 Potential Pressure (bar) -3.38747e+06 -4.54030e+03 Step Time 7469 7469.00000 Step Time 7470 7470.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06670e+03 6.07884e+03 1.99134e+04 2.32469e+02 -1.09297e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88019e+03 1.16603e+05 6.03563e+05 -4.14953e+06 9.80871e+03 Potential Pressure (bar) -3.38748e+06 -4.54041e+03 Step Time 7471 7471.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06728e+03 6.07846e+03 1.99134e+04 2.32471e+02 -1.09299e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88037e+03 1.16603e+05 6.03568e+05 -4.14954e+06 9.80855e+03 Potential Pressure (bar) -3.38748e+06 -4.54016e+03 Step Time 7472 7472.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06705e+03 6.07899e+03 1.99134e+04 2.32459e+02 -1.09298e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88013e+03 1.16603e+05 6.03570e+05 -4.14954e+06 9.80853e+03 Potential Pressure (bar) -3.38748e+06 -4.54032e+03 Step Time 7473 7473.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06801e+03 6.07847e+03 1.99134e+04 2.32464e+02 -1.09301e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88039e+03 1.16603e+05 6.03575e+05 -4.14955e+06 9.80849e+03 Potential Pressure (bar) -3.38748e+06 -4.54002e+03 Step Time 7474 7474.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06785e+03 6.07926e+03 1.99134e+04 2.32450e+02 -1.09299e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88006e+03 1.16603e+05 6.03576e+05 -4.14956e+06 9.80842e+03 Potential Pressure (bar) -3.38749e+06 -4.54028e+03 Step Time 7475 7475.00000 Step Time 7476 7476.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06654e+03 6.07858e+03 1.99134e+04 2.32451e+02 -1.09300e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88025e+03 1.16603e+05 6.03578e+05 -4.14956e+06 9.80846e+03 Potential Pressure (bar) -3.38749e+06 -4.54007e+03 Step Time 7477 7477.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06861e+03 6.07946e+03 1.99134e+04 2.32440e+02 -1.09300e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88001e+03 1.16603e+05 6.03583e+05 -4.14957e+06 9.80829e+03 Potential Pressure (bar) -3.38749e+06 -4.54021e+03 Step Time 7478 7478.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06685e+03 6.07851e+03 1.99134e+04 2.32447e+02 -1.09302e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88029e+03 1.16603e+05 6.03586e+05 -4.14957e+06 9.80824e+03 Potential Pressure (bar) -3.38750e+06 -4.53994e+03 Step Time 7479 7479.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07004e+03 6.07981e+03 1.99134e+04 2.32431e+02 -1.09301e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87995e+03 1.16603e+05 6.03589e+05 -4.14958e+06 9.80817e+03 Potential Pressure (bar) -3.38750e+06 -4.54018e+03 Step Time 7480 7480.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06774e+03 6.07848e+03 1.99134e+04 2.32441e+02 -1.09303e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88034e+03 1.16603e+05 6.03592e+05 -4.14958e+06 9.80812e+03 Potential Pressure (bar) -3.38750e+06 -4.53977e+03 Step Time 7481 7481.00000 Step Time 7482 7482.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06694e+03 6.07895e+03 1.99134e+04 2.32431e+02 -1.09302e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88009e+03 1.16603e+05 6.03593e+05 -4.14959e+06 9.80809e+03 Potential Pressure (bar) -3.38751e+06 -4.53996e+03 Step Time 7483 7483.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06869e+03 6.07852e+03 1.99134e+04 2.32435e+02 -1.09304e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88037e+03 1.16603e+05 6.03599e+05 -4.14960e+06 9.80798e+03 Potential Pressure (bar) -3.38751e+06 -4.53964e+03 Step Time 7484 7484.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06773e+03 6.07921e+03 1.99134e+04 2.32420e+02 -1.09303e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88002e+03 1.16603e+05 6.03600e+05 -4.14961e+06 9.80794e+03 Potential Pressure (bar) -3.38751e+06 -4.53991e+03 Step Time 7485 7485.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07057e+03 6.07860e+03 1.99134e+04 2.32433e+02 -1.09306e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88043e+03 1.16603e+05 6.03605e+05 -4.14961e+06 9.80781e+03 Potential Pressure (bar) -3.38752e+06 -4.53950e+03 Step Time 7486 7486.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06951e+03 6.07970e+03 1.99134e+04 2.32408e+02 -1.09304e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87993e+03 1.16603e+05 6.03607e+05 -4.14962e+06 9.80779e+03 Potential Pressure (bar) -3.38752e+06 -4.53987e+03 Step Time 7487 7487.00000 Step Time 7488 7488.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06675e+03 6.07854e+03 1.99134e+04 2.32415e+02 -1.09305e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88022e+03 1.16603e+05 6.03609e+05 -4.14962e+06 9.80774e+03 Potential Pressure (bar) -3.38753e+06 -4.53958e+03 Step Time 7489 7489.00000 Step Time 7490 7490.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06719e+03 6.07903e+03 1.99134e+04 2.32405e+02 -1.09305e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88003e+03 1.16603e+05 6.03611e+05 -4.14963e+06 9.80774e+03 Potential Pressure (bar) -3.38753e+06 -4.53970e+03 Step Time 7491 7491.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06710e+03 6.07850e+03 1.99134e+04 2.32411e+02 -1.09307e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88024e+03 1.16603e+05 6.03615e+05 -4.14964e+06 9.80766e+03 Potential Pressure (bar) -3.38753e+06 -4.53948e+03 Step Time 7492 7492.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06784e+03 6.07924e+03 1.99134e+04 2.32399e+02 -1.09306e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87998e+03 1.16603e+05 6.03617e+05 -4.14964e+06 9.80763e+03 Potential Pressure (bar) -3.38753e+06 -4.53965e+03 Step Time 7493 7493.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06788e+03 6.07848e+03 1.99134e+04 2.32408e+02 -1.09308e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88028e+03 1.16603e+05 6.03620e+05 -4.14965e+06 9.80753e+03 Potential Pressure (bar) -3.38754e+06 -4.53934e+03 Step Time 7494 7494.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06915e+03 6.07959e+03 1.99134e+04 2.32388e+02 -1.09307e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87990e+03 1.16603e+05 6.03622e+05 -4.14966e+06 9.80745e+03 Potential Pressure (bar) -3.38754e+06 -4.53964e+03 Step Time 7495 7495.00000 Step Time 7496 7496.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06649e+03 6.07864e+03 1.99134e+04 2.32395e+02 -1.09308e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88013e+03 1.16603e+05 6.03624e+05 -4.14966e+06 9.80740e+03 Potential Pressure (bar) -3.38754e+06 -4.53940e+03 Step Time 7497 7497.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07044e+03 6.07981e+03 1.99134e+04 2.32369e+02 -1.09308e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87982e+03 1.16603e+05 6.03636e+05 -4.14968e+06 9.80724e+03 Potential Pressure (bar) -3.38755e+06 -4.53948e+03 Step Time 7498 7498.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06672e+03 6.07854e+03 1.99134e+04 2.32382e+02 -1.09310e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88014e+03 1.16603e+05 6.03638e+05 -4.14968e+06 9.80715e+03 Potential Pressure (bar) -3.38755e+06 -4.53916e+03 Step Time 7499 7499.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07252e+03 6.08038e+03 1.99134e+04 2.32358e+02 -1.09309e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87975e+03 1.16604e+05 6.03643e+05 -4.14970e+06 9.80703e+03 Potential Pressure (bar) -3.38756e+06 -4.53943e+03 Step Time 7500 7500.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06759e+03 6.07850e+03 1.99134e+04 2.32373e+02 -1.09312e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88021e+03 1.16603e+05 6.03646e+05 -4.14970e+06 9.80697e+03 Potential Pressure (bar) -3.38757e+06 -4.53900e+03 Step Time 7501 7501.00000 Step Time 7502 7502.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06764e+03 6.07915e+03 1.99134e+04 2.32359e+02 -1.09311e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87993e+03 1.16603e+05 6.03647e+05 -4.14971e+06 9.80696e+03 Potential Pressure (bar) -3.38757e+06 -4.53918e+03 Step Time 7503 7503.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06864e+03 6.07854e+03 1.99134e+04 2.32372e+02 -1.09314e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88025e+03 1.16603e+05 6.03651e+05 -4.14971e+06 9.80686e+03 Potential Pressure (bar) -3.38757e+06 -4.53886e+03 Step Time 7504 7504.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06895e+03 6.07951e+03 1.99134e+04 2.32350e+02 -1.09312e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87985e+03 1.16603e+05 6.03654e+05 -4.14972e+06 9.80682e+03 Potential Pressure (bar) -3.38757e+06 -4.53915e+03 Step Time 7505 7505.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07079e+03 6.07865e+03 1.99134e+04 2.32369e+02 -1.09315e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88032e+03 1.16602e+05 6.03657e+05 -4.14972e+06 9.80674e+03 Potential Pressure (bar) -3.38757e+06 -4.53871e+03 Step Time 7506 7506.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07174e+03 6.08017e+03 1.99134e+04 2.32339e+02 -1.09312e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87973e+03 1.16603e+05 6.03659e+05 -4.14973e+06 9.80668e+03 Potential Pressure (bar) -3.38758e+06 -4.53916e+03 Step Time 7507 7507.00000 Step Time 7508 7508.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06665e+03 6.07856e+03 1.99134e+04 2.32352e+02 -1.09314e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88007e+03 1.16603e+05 6.03661e+05 -4.14973e+06 9.80663e+03 Potential Pressure (bar) -3.38758e+06 -4.53883e+03 Step Time 7509 7509.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07435e+03 6.08077e+03 1.99134e+04 2.32324e+02 -1.09313e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87964e+03 1.16604e+05 6.03669e+05 -4.14975e+06 9.80650e+03 Potential Pressure (bar) -3.38758e+06 -4.53910e+03 Step Time 7510 7510.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06744e+03 6.07851e+03 1.99135e+04 2.32345e+02 -1.09317e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88014e+03 1.16603e+05 6.03671e+05 -4.14975e+06 9.80647e+03 Potential Pressure (bar) -3.38759e+06 -4.53861e+03 Step Time 7511 7511.00000 Step Time 7512 7512.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06823e+03 6.07932e+03 1.99134e+04 2.32328e+02 -1.09315e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87983e+03 1.16603e+05 6.03673e+05 -4.14976e+06 9.80636e+03 Potential Pressure (bar) -3.38760e+06 -4.53882e+03 Step Time 7513 7513.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06853e+03 6.07851e+03 1.99135e+04 2.32340e+02 -1.09318e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88019e+03 1.16603e+05 6.03676e+05 -4.14976e+06 9.80628e+03 Potential Pressure (bar) -3.38760e+06 -4.53848e+03 Step Time 7514 7514.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06993e+03 6.07977e+03 1.99134e+04 2.32318e+02 -1.09316e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87975e+03 1.16603e+05 6.03678e+05 -4.14977e+06 9.80631e+03 Potential Pressure (bar) -3.38760e+06 -4.53882e+03 Step Time 7515 7515.00000 Step Time 7516 7516.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06655e+03 6.07863e+03 1.99135e+04 2.32327e+02 -1.09318e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88001e+03 1.16603e+05 6.03680e+05 -4.14977e+06 9.80624e+03 Potential Pressure (bar) -3.38760e+06 -4.53854e+03 Step Time 7517 7517.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07155e+03 6.08011e+03 1.99134e+04 2.32301e+02 -1.09318e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87965e+03 1.16603e+05 6.03691e+05 -4.14980e+06 9.80606e+03 Potential Pressure (bar) -3.38761e+06 -4.53868e+03 Step Time 7518 7518.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06689e+03 6.07853e+03 1.99135e+04 2.32316e+02 -1.09320e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88004e+03 1.16603e+05 6.03693e+05 -4.14980e+06 9.80597e+03 Potential Pressure (bar) -3.38762e+06 -4.53828e+03 Step Time 7519 7519.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07431e+03 6.08077e+03 1.99135e+04 2.32290e+02 -1.09319e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87958e+03 1.16604e+05 6.03699e+05 -4.14982e+06 9.80586e+03 Potential Pressure (bar) -3.38762e+06 -4.53863e+03 Step Time 7520 7520.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06813e+03 6.07852e+03 1.99135e+04 2.32310e+02 -1.09322e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88011e+03 1.16603e+05 6.03701e+05 -4.14982e+06 9.80583e+03 Potential Pressure (bar) -3.38763e+06 -4.53812e+03 Step Time 7521 7521.00000 Step Time 7522 7522.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06794e+03 6.07925e+03 1.99135e+04 2.32296e+02 -1.09321e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87978e+03 1.16603e+05 6.03703e+05 -4.14982e+06 9.80580e+03 Potential Pressure (bar) -3.38763e+06 -4.53836e+03 Step Time 7523 7523.00000 Step Time 7524 7524.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06664e+03 6.07859e+03 1.99135e+04 2.32298e+02 -1.09322e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87997e+03 1.16603e+05 6.03704e+05 -4.14982e+06 9.80574e+03 Potential Pressure (bar) -3.38763e+06 -4.53815e+03 Step Time 7525 7525.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06871e+03 6.07949e+03 1.99135e+04 2.32283e+02 -1.09322e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87972e+03 1.16603e+05 6.03709e+05 -4.14983e+06 9.80562e+03 Potential Pressure (bar) -3.38764e+06 -4.53828e+03 Step Time 7526 7526.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06697e+03 6.07854e+03 1.99135e+04 2.32291e+02 -1.09323e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88000e+03 1.16603e+05 6.03711e+05 -4.14984e+06 9.80562e+03 Potential Pressure (bar) -3.38764e+06 -4.53803e+03 Step Time 7527 7527.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07012e+03 6.07983e+03 1.99135e+04 2.32276e+02 -1.09323e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87966e+03 1.16603e+05 6.03715e+05 -4.14985e+06 9.80548e+03 Potential Pressure (bar) -3.38764e+06 -4.53827e+03 Step Time 7528 7528.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06786e+03 6.07852e+03 1.99135e+04 2.32285e+02 -1.09325e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88005e+03 1.16603e+05 6.03718e+05 -4.14985e+06 9.80546e+03 Potential Pressure (bar) -3.38764e+06 -4.53786e+03 Step Time 7529 7529.00000 Step Time 7530 7530.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06704e+03 6.07897e+03 1.99135e+04 2.32274e+02 -1.09324e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87980e+03 1.16603e+05 6.03719e+05 -4.14985e+06 9.80539e+03 Potential Pressure (bar) -3.38765e+06 -4.53803e+03 Step Time 7531 7531.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06884e+03 6.07854e+03 1.99135e+04 2.32282e+02 -1.09326e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88008e+03 1.16603e+05 6.03724e+05 -4.14987e+06 9.80530e+03 Potential Pressure (bar) -3.38765e+06 -4.53775e+03 Step Time 7532 7532.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06783e+03 6.07922e+03 1.99135e+04 2.32267e+02 -1.09325e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87973e+03 1.16603e+05 6.03726e+05 -4.14987e+06 9.80524e+03 Potential Pressure (bar) -3.38765e+06 -4.53799e+03 Step Time 7533 7533.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07069e+03 6.07865e+03 1.99135e+04 2.32276e+02 -1.09327e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88015e+03 1.16602e+05 6.03731e+05 -4.14988e+06 9.80511e+03 Potential Pressure (bar) -3.38766e+06 -4.53758e+03 Step Time 7534 7534.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06959e+03 6.07970e+03 1.99135e+04 2.32253e+02 -1.09326e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87964e+03 1.16603e+05 6.03733e+05 -4.14988e+06 9.80512e+03 Potential Pressure (bar) -3.38766e+06 -4.53798e+03 Step Time 7535 7535.00000 Step Time 7536 7536.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06686e+03 6.07856e+03 1.99135e+04 2.32263e+02 -1.09327e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87993e+03 1.16603e+05 6.03735e+05 -4.14989e+06 9.80506e+03 Potential Pressure (bar) -3.38767e+06 -4.53765e+03 Step Time 7537 7537.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07138e+03 6.08011e+03 1.99135e+04 2.32242e+02 -1.09326e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87956e+03 1.16603e+05 6.03739e+05 -4.14990e+06 9.80498e+03 Potential Pressure (bar) -3.38767e+06 -4.53792e+03 Step Time 7538 7538.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06773e+03 6.07850e+03 1.99135e+04 2.32260e+02 -1.09329e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87999e+03 1.16603e+05 6.03742e+05 -4.14990e+06 9.80489e+03 Potential Pressure (bar) -3.38767e+06 -4.53751e+03 Step Time 7539 7539.00000 Step Time 7540 7540.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06739e+03 6.07908e+03 1.99135e+04 2.32245e+02 -1.09328e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87972e+03 1.16603e+05 6.03744e+05 -4.14991e+06 9.80484e+03 Potential Pressure (bar) -3.38768e+06 -4.53768e+03 Step Time 7541 7541.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06872e+03 6.07854e+03 1.99135e+04 2.32255e+02 -1.09330e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88002e+03 1.16603e+05 6.03748e+05 -4.14991e+06 9.80476e+03 Potential Pressure (bar) -3.38768e+06 -4.53740e+03 Step Time 7542 7542.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06844e+03 6.07938e+03 1.99135e+04 2.32237e+02 -1.09329e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87964e+03 1.16603e+05 6.03750e+05 -4.14992e+06 9.80474e+03 Potential Pressure (bar) -3.38768e+06 -4.53768e+03 Step Time 7543 7543.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07066e+03 6.07867e+03 1.99135e+04 2.32249e+02 -1.09331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88009e+03 1.16602e+05 6.03754e+05 -4.14993e+06 9.80468e+03 Potential Pressure (bar) -3.38768e+06 -4.53725e+03 Step Time 7544 7544.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07069e+03 6.07995e+03 1.99135e+04 2.32224e+02 -1.09329e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87955e+03 1.16603e+05 6.03756e+05 -4.14993e+06 9.80462e+03 Potential Pressure (bar) -3.38769e+06 -4.53766e+03 Step Time 7545 7545.00000 Step Time 7546 7546.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06676e+03 6.07859e+03 1.99135e+04 2.32231e+02 -1.09331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87987e+03 1.16603e+05 6.03758e+05 -4.14994e+06 9.80455e+03 Potential Pressure (bar) -3.38770e+06 -4.53733e+03 Step Time 7547 7547.00000 Step Time 7548 7548.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06773e+03 6.07919e+03 1.99135e+04 2.32221e+02 -1.09330e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87966e+03 1.16603e+05 6.03761e+05 -4.14994e+06 9.80446e+03 Potential Pressure (bar) -3.38770e+06 -4.53746e+03 Step Time 7549 7549.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06709e+03 6.07855e+03 1.99135e+04 2.32226e+02 -1.09332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87988e+03 1.16603e+05 6.03763e+05 -4.14995e+06 9.80439e+03 Potential Pressure (bar) -3.38770e+06 -4.53722e+03 Step Time 7550 7550.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06859e+03 6.07944e+03 1.99135e+04 2.32216e+02 -1.09331e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87960e+03 1.16603e+05 6.03766e+05 -4.14995e+06 9.80436e+03 Potential Pressure (bar) -3.38770e+06 -4.53741e+03 Step Time 7551 7551.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06784e+03 6.07853e+03 1.99135e+04 2.32225e+02 -1.09333e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87993e+03 1.16603e+05 6.03769e+05 -4.14996e+06 9.80432e+03 Potential Pressure (bar) -3.38770e+06 -4.53708e+03 Step Time 7552 7552.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07024e+03 6.07987e+03 1.99135e+04 2.32204e+02 -1.09332e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87952e+03 1.16603e+05 6.03772e+05 -4.14997e+06 9.80432e+03 Potential Pressure (bar) -3.38771e+06 -4.53740e+03 Step Time 7553 7553.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06957e+03 6.07859e+03 1.99136e+04 2.32221e+02 -1.09334e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88000e+03 1.16602e+05 6.03774e+05 -4.14997e+06 9.80422e+03 Potential Pressure (bar) -3.38771e+06 -4.53693e+03 Step Time 7554 7554.00000 Step Time 7555 7555.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06683e+03 6.07888e+03 1.99135e+04 2.32207e+02 -1.09333e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87971e+03 1.16603e+05 6.03775e+05 -4.14997e+06 9.80414e+03 Potential Pressure (bar) -3.38771e+06 -4.53717e+03 Step Time 7556 7556.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07128e+03 6.07868e+03 1.99136e+04 2.32210e+02 -1.09338e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.88004e+03 1.16602e+05 6.03787e+05 -4.14999e+06 9.80396e+03 Potential Pressure (bar) -3.38772e+06 -4.53672e+03 Step Time 7557 7557.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06760e+03 6.07915e+03 1.99136e+04 2.32188e+02 -1.09335e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87961e+03 1.16603e+05 6.03789e+05 -4.15000e+06 9.80392e+03 Potential Pressure (bar) -3.38773e+06 -4.53705e+03 Step Time 7558 7558.00000 Step Time 7559 7559.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06745e+03 6.07852e+03 1.99136e+04 2.32195e+02 -1.09337e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87985e+03 1.16603e+05 6.03791e+05 -4.15000e+06 9.80383e+03 Potential Pressure (bar) -3.38773e+06 -4.53676e+03 Step Time 7560 7560.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06847e+03 6.07941e+03 1.99136e+04 2.32183e+02 -1.09336e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87955e+03 1.16603e+05 6.03794e+05 -4.15001e+06 9.80378e+03 Potential Pressure (bar) -3.38773e+06 -4.53700e+03 Step Time 7561 7561.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06848e+03 6.07852e+03 1.99136e+04 2.32192e+02 -1.09338e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87990e+03 1.16602e+05 6.03797e+05 -4.15002e+06 9.80374e+03 Potential Pressure (bar) -3.38773e+06 -4.53665e+03 Step Time 7562 7562.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07020e+03 6.07987e+03 1.99136e+04 2.32171e+02 -1.09336e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87946e+03 1.16603e+05 6.03799e+05 -4.15002e+06 9.80364e+03 Potential Pressure (bar) -3.38774e+06 -4.53696e+03 Step Time 7563 7563.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07066e+03 6.07864e+03 1.99136e+04 2.32187e+02 -1.09340e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87997e+03 1.16602e+05 6.03803e+05 -4.15003e+06 9.80360e+03 Potential Pressure (bar) -3.38774e+06 -4.53648e+03 Step Time 7564 7564.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07372e+03 6.08067e+03 1.99136e+04 2.32160e+02 -1.09337e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87935e+03 1.16603e+05 6.03804e+05 -4.15004e+06 9.80350e+03 Potential Pressure (bar) -3.38774e+06 -4.53700e+03 Step Time 7565 7565.00000 Step Time 7566 7566.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06668e+03 6.07866e+03 1.99136e+04 2.32170e+02 -1.09339e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87971e+03 1.16603e+05 6.03806e+05 -4.15004e+06 9.80349e+03 Potential Pressure (bar) -3.38775e+06 -4.53661e+03 Step Time 7567 7567.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07704e+03 6.08129e+03 1.99136e+04 2.32143e+02 -1.09340e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87925e+03 1.16604e+05 6.03819e+05 -4.15007e+06 9.80320e+03 Potential Pressure (bar) -3.38775e+06 -4.53685e+03 Step Time 7568 7568.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06732e+03 6.07853e+03 1.99136e+04 2.32158e+02 -1.09342e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87977e+03 1.16603e+05 6.03821e+05 -4.15007e+06 9.80313e+03 Potential Pressure (bar) -3.38776e+06 -4.53630e+03 Step Time 7569 7569.00000 Step Time 7570 7570.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06930e+03 6.07959e+03 1.99136e+04 2.32140e+02 -1.09341e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87944e+03 1.16603e+05 6.03824e+05 -4.15008e+06 9.80309e+03 Potential Pressure (bar) -3.38777e+06 -4.53653e+03 Step Time 7571 7571.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06835e+03 6.07853e+03 1.99136e+04 2.32152e+02 -1.09343e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87982e+03 1.16602e+05 6.03827e+05 -4.15008e+06 9.80301e+03 Potential Pressure (bar) -3.38777e+06 -4.53619e+03 Step Time 7572 7572.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07148e+03 6.08013e+03 1.99136e+04 2.32134e+02 -1.09342e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87936e+03 1.16603e+05 6.03829e+05 -4.15009e+06 9.80295e+03 Potential Pressure (bar) -3.38777e+06 -4.53656e+03 Step Time 7573 7573.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07065e+03 6.07866e+03 1.99136e+04 2.32153e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87990e+03 1.16602e+05 6.03832e+05 -4.15009e+06 9.80287e+03 Potential Pressure (bar) -3.38777e+06 -4.53603e+03 Step Time 7574 7574.00000 Step Time 7575 7575.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06697e+03 6.07890e+03 1.99136e+04 2.32139e+02 -1.09344e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87956e+03 1.16603e+05 6.03834e+05 -4.15010e+06 9.80289e+03 Potential Pressure (bar) -3.38778e+06 -4.53625e+03 Step Time 7576 7576.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07289e+03 6.07886e+03 1.99136e+04 2.32134e+02 -1.09347e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87993e+03 1.16602e+05 6.03845e+05 -4.15012e+06 9.80260e+03 Potential Pressure (bar) -3.38778e+06 -4.53581e+03 Step Time 7577 7577.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06797e+03 6.07924e+03 1.99136e+04 2.32114e+02 -1.09345e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87945e+03 1.16603e+05 6.03846e+05 -4.15012e+06 9.80259e+03 Potential Pressure (bar) -3.38779e+06 -4.53617e+03 Step Time 7578 7578.00000 Step Time 7579 7579.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06779e+03 6.07855e+03 1.99136e+04 2.32122e+02 -1.09348e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87974e+03 1.16602e+05 6.03849e+05 -4.15013e+06 9.80250e+03 Potential Pressure (bar) -3.38780e+06 -4.53586e+03 Step Time 7580 7580.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06913e+03 6.07956e+03 1.99136e+04 2.32108e+02 -1.09346e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87939e+03 1.16603e+05 6.03852e+05 -4.15014e+06 9.80243e+03 Potential Pressure (bar) -3.38780e+06 -4.53615e+03 Step Time 7581 7581.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06916e+03 6.07858e+03 1.99136e+04 2.32122e+02 -1.09349e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87979e+03 1.16602e+05 6.03854e+05 -4.15014e+06 9.80239e+03 Potential Pressure (bar) -3.38780e+06 -4.53575e+03 Step Time 7582 7582.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07143e+03 6.08012e+03 1.99136e+04 2.32099e+02 -1.09346e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87930e+03 1.16603e+05 6.03857e+05 -4.15015e+06 9.80230e+03 Potential Pressure (bar) -3.38780e+06 -4.53614e+03 Step Time 7583 7583.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07209e+03 6.07879e+03 1.99136e+04 2.32117e+02 -1.09350e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87988e+03 1.16602e+05 6.03860e+05 -4.15015e+06 9.80225e+03 Potential Pressure (bar) -3.38781e+06 -4.53557e+03 Step Time 7584 7584.00000 Step Time 7585 7585.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06686e+03 6.07885e+03 1.99136e+04 2.32102e+02 -1.09348e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87952e+03 1.16603e+05 6.03861e+05 -4.15016e+06 9.80224e+03 Potential Pressure (bar) -3.38781e+06 -4.53583e+03 Step Time 7586 7586.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07485e+03 6.07901e+03 1.99137e+04 2.32100e+02 -1.09355e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87991e+03 1.16602e+05 6.03880e+05 -4.15019e+06 9.80183e+03 Potential Pressure (bar) -3.38782e+06 -4.53522e+03 Step Time 7587 7587.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06779e+03 6.07919e+03 1.99136e+04 2.32078e+02 -1.09352e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87940e+03 1.16603e+05 6.03881e+05 -4.15020e+06 9.80179e+03 Potential Pressure (bar) -3.38783e+06 -4.53560e+03 Step Time 7588 7588.00000 Step Time 7589 7589.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06844e+03 6.07853e+03 1.99136e+04 2.32082e+02 -1.09353e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87969e+03 1.16602e+05 6.03884e+05 -4.15020e+06 9.80164e+03 Potential Pressure (bar) -3.38784e+06 -4.53530e+03 Step Time 7590 7590.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06897e+03 6.07952e+03 1.99136e+04 2.32067e+02 -1.09352e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87931e+03 1.16603e+05 6.03886e+05 -4.15021e+06 9.80160e+03 Potential Pressure (bar) -3.38784e+06 -4.53560e+03 Step Time 7591 7591.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07020e+03 6.07862e+03 1.99137e+04 2.32080e+02 -1.09355e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87975e+03 1.16602e+05 6.03890e+05 -4.15022e+06 9.80157e+03 Potential Pressure (bar) -3.38784e+06 -4.53517e+03 Step Time 7592 7592.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07139e+03 6.08013e+03 1.99136e+04 2.32058e+02 -1.09353e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87922e+03 1.16603e+05 6.03892e+05 -4.15022e+06 9.80150e+03 Potential Pressure (bar) -3.38784e+06 -4.53560e+03 Step Time 7593 7593.00000 Step Time 7594 7594.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06681e+03 6.07864e+03 1.99136e+04 2.32066e+02 -1.09355e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87953e+03 1.16603e+05 6.03894e+05 -4.15022e+06 9.80145e+03 Potential Pressure (bar) -3.38785e+06 -4.53526e+03 Step Time 7595 7595.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07372e+03 6.08059e+03 1.99136e+04 2.32046e+02 -1.09354e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87913e+03 1.16603e+05 6.03902e+05 -4.15024e+06 9.80133e+03 Potential Pressure (bar) -3.38785e+06 -4.53552e+03 Step Time 7596 7596.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06745e+03 6.07855e+03 1.99137e+04 2.32059e+02 -1.09357e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87958e+03 1.16602e+05 6.03904e+05 -4.15024e+06 9.80122e+03 Potential Pressure (bar) -3.38786e+06 -4.53506e+03 Step Time 7597 7597.00000 Step Time 7598 7598.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06833e+03 6.07933e+03 1.99137e+04 2.32042e+02 -1.09356e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87931e+03 1.16603e+05 6.03906e+05 -4.15025e+06 9.80122e+03 Potential Pressure (bar) -3.38786e+06 -4.53523e+03 Step Time 7599 7599.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06832e+03 6.07858e+03 1.99137e+04 2.32054e+02 -1.09359e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87962e+03 1.16602e+05 6.03909e+05 -4.15025e+06 9.80117e+03 Potential Pressure (bar) -3.38786e+06 -4.53495e+03 Step Time 7600 7600.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06983e+03 6.07973e+03 1.99137e+04 2.32035e+02 -1.09356e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87922e+03 1.16603e+05 6.03912e+05 -4.15026e+06 9.80110e+03 Potential Pressure (bar) -3.38787e+06 -4.53525e+03 Step Time 7601 7601.00000 Step Time 7602 7602.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06678e+03 6.07871e+03 1.99137e+04 2.32042e+02 -1.09358e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87945e+03 1.16603e+05 6.03913e+05 -4.15026e+06 9.80102e+03 Potential Pressure (bar) -3.38787e+06 -4.53500e+03 Step Time 7603 7603.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07124e+03 6.08002e+03 1.99137e+04 2.32019e+02 -1.09358e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87914e+03 1.16603e+05 6.03925e+05 -4.15029e+06 9.80076e+03 Potential Pressure (bar) -3.38788e+06 -4.53508e+03 Step Time 7604 7604.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06702e+03 6.07859e+03 1.99137e+04 2.32030e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87947e+03 1.16602e+05 6.03927e+05 -4.15029e+06 9.80072e+03 Potential Pressure (bar) -3.38789e+06 -4.53475e+03 Step Time 7605 7605.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07368e+03 6.08061e+03 1.99137e+04 2.32004e+02 -1.09359e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87907e+03 1.16603e+05 6.03933e+05 -4.15031e+06 9.80058e+03 Potential Pressure (bar) -3.38789e+06 -4.53505e+03 Step Time 7606 7606.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06801e+03 6.07857e+03 1.99137e+04 2.32024e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87954e+03 1.16602e+05 6.03934e+05 -4.15031e+06 9.80056e+03 Potential Pressure (bar) -3.38789e+06 -4.53456e+03 Step Time 7607 7607.00000 Step Time 7608 7608.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06807e+03 6.07928e+03 1.99137e+04 2.32008e+02 -1.09361e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87924e+03 1.16603e+05 6.03936e+05 -4.15032e+06 9.80051e+03 Potential Pressure (bar) -3.38790e+06 -4.53478e+03 Step Time 7609 7609.00000 Step Time 7610 7610.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06684e+03 6.07867e+03 1.99137e+04 2.32014e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87942e+03 1.16602e+05 6.03938e+05 -4.15032e+06 9.80050e+03 Potential Pressure (bar) -3.38790e+06 -4.53461e+03 Step Time 7611 7611.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06877e+03 6.07947e+03 1.99137e+04 2.31998e+02 -1.09362e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87919e+03 1.16603e+05 6.03943e+05 -4.15033e+06 9.80035e+03 Potential Pressure (bar) -3.38790e+06 -4.53470e+03 Step Time 7612 7612.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06710e+03 6.07859e+03 1.99137e+04 2.32008e+02 -1.09364e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87944e+03 1.16602e+05 6.03945e+05 -4.15033e+06 9.80030e+03 Potential Pressure (bar) -3.38791e+06 -4.53446e+03 Step Time 7613 7613.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07002e+03 6.07977e+03 1.99137e+04 2.31987e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87913e+03 1.16603e+05 6.03949e+05 -4.15034e+06 9.80022e+03 Potential Pressure (bar) -3.38791e+06 -4.53471e+03 Step Time 7614 7614.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06783e+03 6.07854e+03 1.99137e+04 2.32003e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87949e+03 1.16602e+05 6.03952e+05 -4.15034e+06 9.80011e+03 Potential Pressure (bar) -3.38791e+06 -4.53433e+03 Step Time 7615 7615.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07229e+03 6.08032e+03 1.99137e+04 2.31979e+02 -1.09363e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87904e+03 1.16603e+05 6.03955e+05 -4.15035e+06 9.80009e+03 Potential Pressure (bar) -3.38791e+06 -4.53469e+03 Step Time 7616 7616.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06962e+03 6.07862e+03 1.99137e+04 2.32000e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87957e+03 1.16602e+05 6.03957e+05 -4.15035e+06 9.80000e+03 Potential Pressure (bar) -3.38791e+06 -4.53419e+03 Step Time 7617 7617.00000 Step Time 7618 7618.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06736e+03 6.07905e+03 1.99137e+04 2.31983e+02 -1.09365e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87925e+03 1.16603e+05 6.03959e+05 -4.15036e+06 9.80003e+03 Potential Pressure (bar) -3.38792e+06 -4.53441e+03 Step Time 7619 7619.00000 Step Time 7620 7620.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06733e+03 6.07857e+03 1.99137e+04 2.31990e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87943e+03 1.16602e+05 6.03962e+05 -4.15036e+06 9.79994e+03 Potential Pressure (bar) -3.38792e+06 -4.53419e+03 Step Time 7621 7621.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06788e+03 6.07922e+03 1.99137e+04 2.31978e+02 -1.09366e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87919e+03 1.16603e+05 6.03964e+05 -4.15037e+06 9.79988e+03 Potential Pressure (bar) -3.38792e+06 -4.53436e+03 Step Time 7622 7622.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06795e+03 6.07856e+03 1.99137e+04 2.31984e+02 -1.09368e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87946e+03 1.16602e+05 6.03968e+05 -4.15037e+06 9.79981e+03 Potential Pressure (bar) -3.38793e+06 -4.53406e+03 Step Time 7623 7623.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06891e+03 6.07951e+03 1.99137e+04 2.31967e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87913e+03 1.16603e+05 6.03970e+05 -4.15038e+06 9.79975e+03 Potential Pressure (bar) -3.38793e+06 -4.53433e+03 Step Time 7624 7624.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06926e+03 6.07860e+03 1.99137e+04 2.31980e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87951e+03 1.16602e+05 6.03973e+05 -4.15039e+06 9.79970e+03 Potential Pressure (bar) -3.38793e+06 -4.53396e+03 Step Time 7625 7625.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07098e+03 6.08005e+03 1.99137e+04 2.31962e+02 -1.09367e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87904e+03 1.16603e+05 6.03975e+05 -4.15040e+06 9.79963e+03 Potential Pressure (bar) -3.38794e+06 -4.53432e+03 Step Time 7626 7626.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07205e+03 6.07878e+03 1.99137e+04 2.31978e+02 -1.09371e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87959e+03 1.16602e+05 6.03978e+05 -4.15040e+06 9.79950e+03 Potential Pressure (bar) -3.38794e+06 -4.53379e+03 Step Time 7627 7627.00000 Step Time 7628 7628.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06695e+03 6.07885e+03 1.99137e+04 2.31961e+02 -1.09369e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87925e+03 1.16603e+05 6.03979e+05 -4.15040e+06 9.79950e+03 Potential Pressure (bar) -3.38794e+06 -4.53404e+03 Step Time 7629 7629.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07464e+03 6.07908e+03 1.99138e+04 2.31957e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87960e+03 1.16602e+05 6.04005e+05 -4.15045e+06 9.79891e+03 Potential Pressure (bar) -3.38796e+06 -4.53333e+03 Step Time 7630 7630.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06775e+03 6.07916e+03 1.99137e+04 2.31932e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87910e+03 1.16603e+05 6.04006e+05 -4.15045e+06 9.79886e+03 Potential Pressure (bar) -3.38797e+06 -4.53374e+03 Step Time 7631 7631.00000 Step Time 7632 7632.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06858e+03 6.07856e+03 1.99137e+04 2.31934e+02 -1.09375e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87939e+03 1.16602e+05 6.04009e+05 -4.15046e+06 9.79884e+03 Potential Pressure (bar) -3.38797e+06 -4.53341e+03 Step Time 7633 7633.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06878e+03 6.07947e+03 1.99137e+04 2.31921e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87903e+03 1.16603e+05 6.04011e+05 -4.15047e+06 9.79878e+03 Potential Pressure (bar) -3.38797e+06 -4.53371e+03 Step Time 7634 7634.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07027e+03 6.07865e+03 1.99138e+04 2.31934e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87945e+03 1.16602e+05 6.04015e+05 -4.15047e+06 9.79869e+03 Potential Pressure (bar) -3.38798e+06 -4.53328e+03 Step Time 7635 7635.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07095e+03 6.08003e+03 1.99137e+04 2.31915e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87894e+03 1.16603e+05 6.04017e+05 -4.15048e+06 9.79869e+03 Potential Pressure (bar) -3.38798e+06 -4.53369e+03 Step Time 7636 7636.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07375e+03 6.07891e+03 1.99138e+04 2.31932e+02 -1.09378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87955e+03 1.16602e+05 6.04020e+05 -4.15049e+06 9.79858e+03 Potential Pressure (bar) -3.38798e+06 -4.53312e+03 Step Time 7637 7637.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07548e+03 6.08105e+03 1.99137e+04 2.31904e+02 -1.09374e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87882e+03 1.16603e+05 6.04022e+05 -4.15050e+06 9.79855e+03 Potential Pressure (bar) -3.38799e+06 -4.53374e+03 Step Time 7638 7638.00000 Step Time 7639 7639.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06705e+03 6.07864e+03 1.99138e+04 2.31918e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87924e+03 1.16602e+05 6.04024e+05 -4.15050e+06 9.79845e+03 Potential Pressure (bar) -3.38800e+06 -4.53329e+03 Step Time 7640 7640.00000 Step Time 7641 7641.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06948e+03 6.07964e+03 1.99138e+04 2.31901e+02 -1.09376e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87896e+03 1.16603e+05 6.04028e+05 -4.15051e+06 9.79838e+03 Potential Pressure (bar) -3.38800e+06 -4.53347e+03 Step Time 7642 7642.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06751e+03 6.07859e+03 1.99138e+04 2.31910e+02 -1.09378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87928e+03 1.16602e+05 6.04029e+05 -4.15051e+06 9.79838e+03 Potential Pressure (bar) -3.38800e+06 -4.53317e+03 Step Time 7643 7643.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07129e+03 6.08005e+03 1.99138e+04 2.31893e+02 -1.09377e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87890e+03 1.16603e+05 6.04033e+05 -4.15052e+06 9.79827e+03 Potential Pressure (bar) -3.38800e+06 -4.53349e+03 Step Time 7644 7644.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06877e+03 6.07859e+03 1.99138e+04 2.31907e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87934e+03 1.16602e+05 6.04036e+05 -4.15052e+06 9.79821e+03 Potential Pressure (bar) -3.38801e+06 -4.53304e+03 Step Time 7645 7645.00000 Step Time 7646 7646.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06741e+03 6.07904e+03 1.99138e+04 2.31894e+02 -1.09378e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87906e+03 1.16603e+05 6.04037e+05 -4.15052e+06 9.79820e+03 Potential Pressure (bar) -3.38801e+06 -4.53324e+03 Step Time 7647 7647.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07010e+03 6.07867e+03 1.99138e+04 2.31898e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87937e+03 1.16602e+05 6.04043e+05 -4.15054e+06 9.79797e+03 Potential Pressure (bar) -3.38801e+06 -4.53288e+03 Step Time 7648 7648.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06836e+03 6.07934e+03 1.99138e+04 2.31882e+02 -1.09379e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87898e+03 1.16603e+05 6.04044e+05 -4.15054e+06 9.79799e+03 Potential Pressure (bar) -3.38802e+06 -4.53318e+03 Step Time 7649 7649.00000 Step Time 7650 7650.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06727e+03 6.07862e+03 1.99138e+04 2.31888e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87921e+03 1.16602e+05 6.04046e+05 -4.15054e+06 9.79794e+03 Potential Pressure (bar) -3.38802e+06 -4.53293e+03 Step Time 7651 7651.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06937e+03 6.07959e+03 1.99138e+04 2.31876e+02 -1.09380e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87892e+03 1.16603e+05 6.04050e+05 -4.15055e+06 9.79793e+03 Potential Pressure (bar) -3.38802e+06 -4.53315e+03 Step Time 7652 7652.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06797e+03 6.07858e+03 1.99138e+04 2.31884e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87925e+03 1.16602e+05 6.04052e+05 -4.15056e+06 9.79785e+03 Potential Pressure (bar) -3.38803e+06 -4.53279e+03 Step Time 7653 7653.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07124e+03 6.08006e+03 1.99138e+04 2.31867e+02 -1.09381e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87884e+03 1.16603e+05 6.04055e+05 -4.15057e+06 9.79773e+03 Potential Pressure (bar) -3.38803e+06 -4.53315e+03 Step Time 7654 7654.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06963e+03 6.07865e+03 1.99138e+04 2.31881e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87932e+03 1.16602e+05 6.04058e+05 -4.15057e+06 9.79765e+03 Potential Pressure (bar) -3.38803e+06 -4.53265e+03 Step Time 7655 7655.00000 Step Time 7656 7656.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06728e+03 6.07899e+03 1.99138e+04 2.31870e+02 -1.09382e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87902e+03 1.16602e+05 6.04059e+05 -4.15057e+06 9.79764e+03 Potential Pressure (bar) -3.38804e+06 -4.53288e+03 Step Time 7657 7657.00000 Step Time 7658 7658.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06750e+03 6.07860e+03 1.99138e+04 2.31871e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87919e+03 1.16602e+05 6.04063e+05 -4.15058e+06 9.79757e+03 Potential Pressure (bar) -3.38804e+06 -4.53266e+03 Step Time 7659 7659.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06768e+03 6.07912e+03 1.99138e+04 2.31862e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87898e+03 1.16602e+05 6.04065e+05 -4.15058e+06 9.79749e+03 Potential Pressure (bar) -3.38804e+06 -4.53283e+03 Step Time 7660 7660.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06808e+03 6.07860e+03 1.99138e+04 2.31868e+02 -1.09384e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87922e+03 1.16602e+05 6.04068e+05 -4.15059e+06 9.79743e+03 Potential Pressure (bar) -3.38804e+06 -4.53257e+03 Step Time 7661 7661.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06849e+03 6.07936e+03 1.99138e+04 2.31853e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87891e+03 1.16603e+05 6.04070e+05 -4.15060e+06 9.79741e+03 Potential Pressure (bar) -3.38805e+06 -4.53280e+03 Step Time 7662 7662.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06928e+03 6.07865e+03 1.99138e+04 2.31863e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87927e+03 1.16602e+05 6.04074e+05 -4.15060e+06 9.79732e+03 Potential Pressure (bar) -3.38805e+06 -4.53242e+03 Step Time 7663 7663.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07017e+03 6.07980e+03 1.99138e+04 2.31843e+02 -1.09383e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87883e+03 1.16603e+05 6.04076e+05 -4.15061e+06 9.79730e+03 Potential Pressure (bar) -3.38805e+06 -4.53275e+03 Step Time 7664 7664.00000 Step Time 7665 7665.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06699e+03 6.07872e+03 1.99138e+04 2.31851e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87908e+03 1.16602e+05 6.04077e+05 -4.15061e+06 9.79726e+03 Potential Pressure (bar) -3.38806e+06 -4.53248e+03 Step Time 7666 7666.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07178e+03 6.08014e+03 1.99138e+04 2.31831e+02 -1.09385e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87876e+03 1.16603e+05 6.04085e+05 -4.15062e+06 9.79708e+03 Potential Pressure (bar) -3.38806e+06 -4.53268e+03 Step Time 7667 7667.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06743e+03 6.07863e+03 1.99138e+04 2.31844e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87912e+03 1.16602e+05 6.04086e+05 -4.15063e+06 9.79700e+03 Potential Pressure (bar) -3.38806e+06 -4.53233e+03 Step Time 7668 7668.00000 Step Time 7669 7669.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06808e+03 6.07922e+03 1.99138e+04 2.31834e+02 -1.09386e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87889e+03 1.16603e+05 6.04089e+05 -4.15063e+06 9.79697e+03 Potential Pressure (bar) -3.38807e+06 -4.53250e+03 Step Time 7670 7670.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06802e+03 6.07861e+03 1.99138e+04 2.31843e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87916e+03 1.16602e+05 6.04092e+05 -4.15064e+06 9.79686e+03 Potential Pressure (bar) -3.38807e+06 -4.53221e+03 Step Time 7671 7671.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06912e+03 6.07952e+03 1.99138e+04 2.31827e+02 -1.09387e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87882e+03 1.16603e+05 6.04094e+05 -4.15065e+06 9.79682e+03 Potential Pressure (bar) -3.38807e+06 -4.53243e+03 Step Time 7672 7672.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06930e+03 6.07866e+03 1.99138e+04 2.31841e+02 -1.09389e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87921e+03 1.16602e+05 6.04097e+05 -4.15065e+06 9.79674e+03 Potential Pressure (bar) -3.38808e+06 -4.53208e+03 Step Time 7673 7673.00000 Step Time 7674 7674.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06706e+03 6.07886e+03 1.99138e+04 2.31828e+02 -1.09388e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87896e+03 1.16602e+05 6.04098e+05 -4.15065e+06 9.79674e+03 Potential Pressure (bar) -3.38808e+06 -4.53224e+03 Step Time 7675 7675.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07046e+03 6.07869e+03 1.99138e+04 2.31796e+02 -1.09392e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87924e+03 1.16602e+05 6.04123e+05 -4.15071e+06 9.79613e+03 Potential Pressure (bar) -3.38810e+06 -4.53166e+03 Step Time 7676 7676.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06745e+03 6.07902e+03 1.99138e+04 2.31786e+02 -1.09391e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87886e+03 1.16602e+05 6.04125e+05 -4.15071e+06 9.79603e+03 Potential Pressure (bar) -3.38811e+06 -4.53194e+03 Step Time 7677 7677.00000 Step Time 7678 7678.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06777e+03 6.07860e+03 1.99138e+04 2.31799e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87904e+03 1.16602e+05 6.04128e+05 -4.15072e+06 9.79596e+03 Potential Pressure (bar) -3.38811e+06 -4.53170e+03 Step Time 7679 7679.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06801e+03 6.07921e+03 1.99138e+04 2.31784e+02 -1.09393e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87880e+03 1.16602e+05 6.04130e+05 -4.15072e+06 9.79595e+03 Potential Pressure (bar) -3.38811e+06 -4.53189e+03 Step Time 7680 7680.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06855e+03 6.07861e+03 1.99138e+04 2.31797e+02 -1.09395e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87909e+03 1.16602e+05 6.04134e+05 -4.15073e+06 9.79586e+03 Potential Pressure (bar) -3.38812e+06 -4.53157e+03 Step Time 7681 7681.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06910e+03 6.07953e+03 1.99138e+04 2.31779e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87873e+03 1.16603e+05 6.04136e+05 -4.15073e+06 9.79585e+03 Potential Pressure (bar) -3.38812e+06 -4.53186e+03 Step Time 7682 7682.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07016e+03 6.07868e+03 1.99139e+04 2.31791e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87915e+03 1.16602e+05 6.04138e+05 -4.15074e+06 9.79575e+03 Potential Pressure (bar) -3.38812e+06 -4.53145e+03 Step Time 7683 7683.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07135e+03 6.08009e+03 1.99138e+04 2.31767e+02 -1.09394e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87863e+03 1.16603e+05 6.04140e+05 -4.15074e+06 9.79574e+03 Potential Pressure (bar) -3.38812e+06 -4.53186e+03 Step Time 7684 7684.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.07349e+03 6.07895e+03 1.99139e+04 2.31789e+02 -1.09397e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87924e+03 1.16602e+05 6.04144e+05 -4.15075e+06 9.79563e+03 Potential Pressure (bar) -3.38812e+06 -4.53132e+03 Step Time 7685 7685.00000 Step Time 7686 7686.00000 Energies (kJ/mol) Bond U-B Proper Dih. Improper Dih. CMAP Dih. 2.06709e+03 6.07886e+03 1.99139e+04 2.31773e+02 -1.09396e+03 LJ-14 Coulomb-14 LJ (SR) Coulomb (SR) Coul. recip. 4.87886e+03 1.16602e+05 6.04145e+05 -4.15075e+06 9.79559e+03 Potential Pressure (bar) -3.38813e+06 -4.53158e+03 Steepest Descents converged to Fmax < 100 in 7687 steps Potential Energy = -3.3881330e+06 Maximum force = 9.0538429e+01 on atom 5682 Norm of force = 2.9952054e+00 Finished mdrun on rank 0 Sun Nov 19 22:51:40 2023