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Which kations you use to neutralize your system in GROMACS (Na+ or K+)?
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3
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308
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March 5, 2026
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User-defined potential for position restraints
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5
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665
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March 4, 2026
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How to fix this?
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3
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26
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March 4, 2026
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Segmentation fault - pairdist
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0
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20
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March 3, 2026
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[ angle_restraints_z ]
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0
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9
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March 3, 2026
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Multiple Peptide-Lipid Bilayer Simulations
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1
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303
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March 3, 2026
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How to visualize the histogram created by WHAM tool
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3
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575
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March 3, 2026
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Necessary files to be kept for WHAM analysis?
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3
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24
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March 3, 2026
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Changing the group name in gmx make_ndx
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1
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25
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March 3, 2026
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How to plot viscosity in xmgrace by gmx tcaf
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2
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11
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March 3, 2026
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PLUMED SEGMENTATION FAULT (core dumped)
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1
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34
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March 2, 2026
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Berger Lipid Parameters and Membrane Simulations
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10
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1706
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March 2, 2026
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How can I remove a specific interaction?
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3
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31
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March 2, 2026
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Amber19SB and Amber14SB in old versions of Gromacs
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13
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200
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February 27, 2026
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How to calculate fluctuation dissipation constant (h)
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0
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14
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February 26, 2026
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Advice on Monitoring Passive Membrane Permeation via Unbiased MD
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2
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54
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February 25, 2026
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Ion Channel PMF calculation analysis
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0
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13
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February 24, 2026
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Gromacs-CP2k energy minimization
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0
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27
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February 24, 2026
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Define ATP+mg in Amber forcefield
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0
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26
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February 23, 2026
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Tabulated non-bonded potentials
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12
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1126
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February 23, 2026
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Alchemical Free Energy calculation (dH/d\lambda) of a tabulated potential
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5
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123
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February 23, 2026
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GROMACS pdb2gmx Warning: Missing Atoms (H and O) in AlphaFold3-Derived TCR–pMHC Structure
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0
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10
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February 23, 2026
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Using tpic widom insertion in gromacs
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0
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15
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February 21, 2026
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CMake Error (missing OpenMP_CUDA_FLAGS) on Windows when building with CUDA
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10
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1201
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February 21, 2026
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Steered MD Simulation error
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19
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122
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February 19, 2026
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Discrete "Coulp.-recip" values for different conformations of the same system
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10
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45
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February 18, 2026
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Issue with Coarse-Grained Lipid Bilayer + Protein Simulation (Missing Frames After ~36 µs)
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0
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19
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February 18, 2026
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Confusion about -DNORMANG in define field of MDP file, where is this flag defined?
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2
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34
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February 18, 2026
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Equilibration not work
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0
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21
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February 17, 2026
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CGenFF ERROR - attype warning: unknown sulfur type (SD) not supported; skipped molecule
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2
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283
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February 16, 2026
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