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How to use the forum
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1
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3765
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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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2020
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April 24, 2020
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Update Groups Can't Be Created for GROMACS2024
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0
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1
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May 5, 2025
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Cation-cation and anion-anion short-range Coulomb negative energy
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6
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590
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May 5, 2025
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Fixing coordinates of a chain after simulation
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6
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36
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May 4, 2025
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Wrong compiler when installing with internally built FFTW3?
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2
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15
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May 4, 2025
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Unusual RMSD of ligand-protein
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5
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19
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May 4, 2025
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Unusual aggregation of gas molecules
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12
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89
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May 4, 2025
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Gmx genion problem at boundary between indices 99999 and 100000
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1
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10
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May 3, 2025
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Gromacs 2023.3 on Apple M3 chip
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18
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3436
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May 3, 2025
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System is distroted on applying dc electric filed
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0
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7
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May 3, 2025
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listRanges does not have a first element with value 0
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3
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47
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April 12, 2025
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Deployment of Gromacs with CUDA
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1
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16
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May 2, 2025
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SMD output files and interpretation
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0
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7
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May 2, 2025
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Potential bug/unexpected interaction between LINCS constraints and too skew box
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4
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17
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May 2, 2025
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How to add Cu2+ parameters to ions.itp in GAFF forcefield?
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0
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9
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May 2, 2025
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The options about xmax and xmin for gmx densmap
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1
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20
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May 2, 2025
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Energy groups find self interacting Na+ and Cl+ for Coulombic interaction energy?
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6
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406
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May 2, 2025
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Number of coordinates did not match in coordinated file with the topology file
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24
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9377
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May 1, 2025
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Rotating protein in trajectory
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6
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31
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May 1, 2025
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Dear all, This .mdp file below is from an old tutorial. How would it look in the new version?
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2
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26
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April 30, 2025
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Odd runtime error -> Condition: numOpenmpThreadsForClearing_ >= 1
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2
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11
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April 30, 2025
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Libgromacs.so.10.0.0: undefined references during installation with CUDA
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0
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11
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April 30, 2025
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RTX 5070 Not Utilized
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2
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46
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April 30, 2025
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Problems building gromacs with CUDA
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0
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22
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April 29, 2025
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Calibration of correction potential in constant pH GROMACS
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2
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10
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April 29, 2025
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Possible artefacts during trajectory unwrapping using -pbc nojump
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0
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12
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April 29, 2025
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How do we omit the positive/negative strain at zero stress?
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1
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29
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April 29, 2025
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AMBER force field for copper ions
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2
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1175
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April 29, 2025
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Ligand coordinates not matching in solv and topol
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0
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13
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April 26, 2025
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