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How to use the forum
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1
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4014
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October 28, 2020
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About the User discussions category
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0
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2081
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April 24, 2020
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Umbrella sampling for a protien ligand system
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0
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1
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January 24, 2026
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MPI error when using ensemble-averaged distance restraints and set GMX_DISRE_ENSEMBLE_SIZE
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7
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46
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January 23, 2026
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How to add hydrogen atoms to the complex with correct coordinates?
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2
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14
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January 23, 2026
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How to build Ligand topology
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0
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6
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January 23, 2026
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Free energy verification by thermodynamic integration in liquid solutions
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0
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7
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January 22, 2026
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Segmentation faults / ‘core dumped’ errors
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12
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27
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January 22, 2026
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Discrete "Coulp.-recip" values for different conformations of the same system
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7
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27
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January 22, 2026
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The output average of gmx energy differs from the average of the data stored in .xvg
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3
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6
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January 22, 2026
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DSSP stuck
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0
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6
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January 22, 2026
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Tabulated nonbonded potentials in GROMACS 2026
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1
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11
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January 21, 2026
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Pdb2gmx rounds up the charge of a single atom
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7
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32
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January 21, 2026
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Charge precision in topology files: parsing behaviour and validation tolerance
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5
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41
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January 21, 2026
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Comparing Simulations with Different Thermo/Barostats
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2
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23
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January 21, 2026
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Water box elongation
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1
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15
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January 21, 2026
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Question about how LINCS calculates stress
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3
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27
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January 21, 2026
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Performance regression in 2025.4: suboptimal CUDA NBNxM kernel selection vs 2024.2
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1
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22
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January 17, 2026
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Post MD simulation Visualizations
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2
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54
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January 15, 2026
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Amber19SB and Amber14SB in old versions of Gromacs
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2
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31
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January 14, 2026
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Gromacs .hdb format RU5 case study
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3
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17
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January 14, 2026
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Slow simulation
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3
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44
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January 12, 2026
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Npt vs nvt
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1
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32
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January 11, 2026
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COF molecular dynamics simulation model creation
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1
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63
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January 10, 2026
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All atom membrane
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0
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18
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January 9, 2026
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PBC issues when simulating multimeric assembly
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0
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10
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January 9, 2026
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Gmx filter
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18
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125
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January 8, 2026
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Protein ns MD simulation and other times recommended inquiry?
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21
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262
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January 8, 2026
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Installation of GROMACS on a intel Arc A750 GPUs
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2
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25
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January 8, 2026
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Amber99sb-ildn ff with Hydroxyproline
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0
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28
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January 7, 2026
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