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How to use the forum
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1
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3953
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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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2059
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April 24, 2020
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Negative interfacial tension in water-oil system
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0
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5
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November 13, 2025
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Viscosity and nstenergy
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2
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18
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November 13, 2025
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Configuring gromacs to use mpirun
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2
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32
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November 13, 2025
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What happened to mmCif file intake?
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0
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8
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November 13, 2025
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GPU support: disabled! Any simple solution?
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15
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58
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November 13, 2025
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Simulate the freezing of saline under an external electric field
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12
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49
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November 13, 2025
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Problems creating a covalent bond between a protein and a ligand in GROMACS
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0
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14
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November 12, 2025
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Position restraints causing mdrun to stall on step 0
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0
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8
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November 12, 2025
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Segfault with ntmpi >2 with 2 GPUs
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6
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12
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November 12, 2025
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Gromacs 2025.3 installation, make check regression tests /complex failed
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5
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45
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November 12, 2025
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PBC changing drastically vertical in replicas of membrane protein with plumed
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6
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22
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November 12, 2025
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Why is gromacs replicating the md log files (MPI rank times)
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2
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9
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November 12, 2025
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GROMACS can't find files that are in the working directory
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1
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13
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November 12, 2025
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Virtual_sites
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5
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48
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November 11, 2025
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Energy minimization stops abruptly without force convergence and segmentation fault
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8
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31
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November 11, 2025
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One control to constrain a molecule type
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1
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25
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November 11, 2025
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Switching back and forth gromacs versions or having multiple runs in different gromacs verisons
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1
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29
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November 11, 2025
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Pdb2gmx not recognizing water block
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1
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27
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November 11, 2025
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Create .xtc file with rectangular unit cell?
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6
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34
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November 11, 2025
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Production MD stop in 23829100 step
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3
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24
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November 11, 2025
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What is the currently best OS for GROMACS?
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6
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80
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November 11, 2025
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Non-Bonded parameters definition not working
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2
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27
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November 10, 2025
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PBC changing drastically vertical in replica of a membrane protein with plumed
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1
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27
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November 10, 2025
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Zinc problem while running pdb2gmx
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0
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12
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November 8, 2025
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Dimeric protein handling during simulation
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0
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10
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November 8, 2025
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GROMACS number of molecules
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0
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12
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November 8, 2025
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gr.xvg files have only 3 digits after decimal point
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4
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30
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November 7, 2025
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How to use d in gmx editconf
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4
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33
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November 7, 2025
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