# How to proceed after accidentally ceased **URL:** \ **Category:** User discussions\ **Created:** [January 3, 2025, 5:12am UTC](https://gromacs.bioexcel.eu/t/how-to-proceed-after-accidentally-ceased/10935 "2025-01-03T05:12:38Z")\ **Posts on this page:** 4\ **Page:** 1
**Author:** ![ZiruiDong](https://avatars.discourse-cdn.com/v4/letter/z/aeb1de/32.png) [@ZiruiDong](https://gromacs.bioexcel.eu/u/ZiruiDong)\ **Post date:** [January 3, 2025, 5:12am UTC](https://gromacs.bioexcel.eu/t/how-to-proceed-after-accidentally-ceased/10935/1 "2025-01-03T05:12:38Z")
GROMACS version:2024.4 GROMACS modification: No Hello! I left my computer to run md last night, but today I found my computer power off. This is my .log file, it seems not finished? If it is possible to start from where it stopped? ---
**Author:** ![ZiruiDong](https://avatars.discourse-cdn.com/v4/letter/z/aeb1de/32.png) [@ZiruiDong](https://gromacs.bioexcel.eu/u/ZiruiDong)\ **Post date:** [January 3, 2025, 5:15am UTC](https://gromacs.bioexcel.eu/t/how-to-proceed-after-accidentally-ceased/10935/2 "2025-01-03T05:15:28Z")
the tail of .log file reads like this: Step Time 3095000 6190.00000 Energies (kJ/mol) U-B Proper Dih. Improper Dih. CMAP Dih. LJ-14 1.73558e+04 2.02103e+04 1.13603e+03 -1.10442e+03 7.75147e+03 Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip. 9.13033e+04 1.96153e+05 -1.18033e+04 -2.34625e+06 6.69117e+03 Potential Kinetic En. Total Energy Conserved En. Temperature -2.01856e+06 3.71626e+05 -1.64693e+06 -1.95129e+06 2.98796e+02 Pres. DC (bar) Pressure (bar) Constr. rmsd -1.34298e+02 -1.75921e+02 3.41630e-05 And the input parameters are these: Input Parameters: integrator = md tinit = 0 dt = 0.002 nsteps = 5000000 init-step = 0 simulation-part = 1 mts = false mass-repartition-factor = 1 comm-mode = Linear nstcomm = 100 bd-fric = 0 ld-seed = -274744321 emtol = 10 emstep = 0.01 niter = 20 fcstep = 0 nstcgsteep = 1000 nbfgscorr = 10 rtpi = 0.05 nstxout = 5000 nstvout = 5000 nstfout = 0 nstlog = 5000 nstcalcenergy = 100 nstenergy = 5000 nstxout-compressed = 10000 compressed-x-precision = 1000 cutoff-scheme = Verlet nstlist = 10 pbc = xyz periodic-molecules = false verlet-buffer-tolerance = 0.005 verlet-buffer-pressure-tolerance = 0.5 rlist = 1.2 coulombtype = PME coulomb-modifier = Potential-shift rcoulomb-switch = 0 rcoulomb = 1.2 epsilon-r = 1 epsilon-rf = inf vdw-type = Cut-off vdw-modifier = Potential-shift rvdw-switch = 0 rvdw = 1.2 DispCorr = EnerPres table-extension = 1 fourierspacing = 0.16 fourier-nx = 80 fourier-ny = 80 fourier-nz = 80 pme-order = 4 ewald-rtol = 1e-05 ewald-rtol-lj = 0.001 lj-pme-comb-rule = Geometric ewald-geometry = 3d epsilon-surface = 0 ensemble-temperature-setting = constant ensemble-temperature = 298 tcoupl = Nose-Hoover nsttcouple = 2 nh-chain-length = 1 print-nose-hoover-chain-variables = false pcoupl = Parrinello-Rahman pcoupltype = Isotropic nstpcouple = 50 tau-p = 2 compressibility (3x3): compressibility[0]={ 4.50000e-05, 0.00000e+00, 0.00000e+00} compressibility[1]={ 0.00000e+00, 4.50000e-05, 0.00000e+00} compressibility[2]={ 0.00000e+00, 0.00000e+00, 4.50000e-05} ref-p (3x3): ref-p[0]={ 1.00000e+00, 0.00000e+00, 0.00000e+00} ref-p[1]={ 0.00000e+00, 1.00000e+00, 0.00000e+00} ref-p[2]={ 0.00000e+00, 0.00000e+00, 1.00000e+00} refcoord-scaling = All 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 qm-opts: ngQM = 0 constraint-algorithm = Lincs continuation = true 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 shift-vector = transformation-matrix = qmmm-cp2k: active = false qmgroup = System qmmethod = PBE qmfilenames = qmcharge = 0 qmmultiplicity = 1 colvars: active = false configfile = seed = -1 grpopts: nrdf: 299176 ref-t: 298 tau-t: 0.1 annealing: No annealing-npoints: 0 acc: 0 0 0 nfreeze: N N N energygrp-flags[0]: 0 ---
**Author:** ![ZiruiDong](https://avatars.discourse-cdn.com/v4/letter/z/aeb1de/32.png) [@ZiruiDong](https://gromacs.bioexcel.eu/u/ZiruiDong)\ **Post date:** [January 3, 2025, 5:20am UTC](https://gromacs.bioexcel.eu/t/how-to-proceed-after-accidentally-ceased/10935/3 "2025-01-03T05:20:06Z")
So based on this .log file, my simulation is not finished? By what means can I proceed? ---
**Author:** ![ZiruiDong](https://avatars.discourse-cdn.com/v4/letter/z/aeb1de/32.png) [@ZiruiDong](https://gromacs.bioexcel.eu/u/ZiruiDong)\ **Post date:** [January 3, 2025, 5:33am UTC](https://gromacs.bioexcel.eu/t/how-to-proceed-after-accidentally-ceased/10935/4 "2025-01-03T05:33:34Z")
Guys I solve this problem using the following command: gmx mdrun -v -deffnm md\_0\_10 -cpi md\_0\_10.cpt