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Viscosity and nstenergy
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3
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31
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November 13, 2025
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CUDA error #218
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3
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121
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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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42
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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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76
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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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69
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November 13, 2025
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Segfault with ntmpi >2 with 2 GPUs
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6
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24
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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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60
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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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29
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November 12, 2025
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Energy minimization stops abruptly without force convergence and segmentation fault
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8
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45
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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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27
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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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37
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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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29
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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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33
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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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90
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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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28
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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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13
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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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13
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November 8, 2025
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GROMACS number of molecules
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0
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13
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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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38
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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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42
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November 7, 2025
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Using -membed option in gromacs
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5
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203
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November 7, 2025
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Hamiltonian replica exchange (HREX) with plumed fails (acceptance rate of 0)
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1
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37
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November 7, 2025
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How does hydrogen mass repartitioning with an increased time step of 4 fs affect other mdp options?
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16
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987
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November 6, 2025
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Part of the protein structure breaks after Energy Minimization
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0
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17
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November 6, 2025
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Distortion of My nucleosome structure while energy minimization
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3
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36
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November 6, 2025
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How to use a complex field to simulate sugars and glycosidases
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0
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28
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November 6, 2025
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Is Intel GPU support available in GROMACS through WSL2 Ubuntu on Windows?
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1
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43
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November 5, 2025
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Viscosity of a liquid from deform
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10
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103
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November 5, 2025
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Standard library logic error in GMX MSD
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1
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26
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November 4, 2025
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