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Extreme performance loss with version 2026.1 on APUs
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10
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95
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April 13, 2026
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GROMACS Command for Minimization, Equilibration, Production Runs from CHARMM README
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0
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32
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April 4, 2026
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Abnormal dVremain/dl values in GROMACS 2025.0 with vdw-type=pme and free-energy
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3
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12
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March 31, 2026
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Issues regarding MDrun in HPC
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0
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27
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March 26, 2026
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Coulomb (SR) calculation in PME
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9
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60
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March 19, 2026
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Steered Molecular dynamics of a ligand moving towards bilayer membrane
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1
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29
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March 16, 2026
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Paradoxical Density in OPLS-AA: Diesel mixture density is abnormally LOWER than its lightest compone
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6
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34
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March 15, 2026
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Restart MD run from a particular time moment in *.xtc file?
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5
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46
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March 6, 2026
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Gromacs-CP2k energy minimization
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0
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28
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February 24, 2026
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Steered MD Simulation error
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19
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148
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February 19, 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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Issue with orienting two monomers during dimer insertion in GoMARTINI membrane system
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0
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19
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February 13, 2026
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Performance regression in 2025.4: suboptimal CUDA NBNxM kernel selection vs 2024.2
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7
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81
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February 12, 2026
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Is -table option in mdrun still enable?
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3
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34
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February 12, 2026
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MDRun Losing Atoms
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7
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58
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February 10, 2026
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SMD simulation - protein pulling and resulting rotation
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2
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49
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February 10, 2026
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How to build Ligand topology
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2
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92
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February 4, 2026
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[Errors] Problems during Umbrella Sampling
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1
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38
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February 4, 2026
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The contradiction between the mdp settings and the real pull rate
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13
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64
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February 4, 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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28
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January 23, 2026
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Comparing Simulations with Different Thermo/Barostats
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2
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57
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January 21, 2026
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COF molecular dynamics simulation model creation
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1
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80
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January 10, 2026
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Fatal error: number of coordinates in coordinate file does not match topology file
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7
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1796
|
January 7, 2026
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Steered MD Simulation using Gromacs
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2
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66
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January 7, 2026
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High pressure in x and y axis in a buble in a nano channel
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2
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34
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January 5, 2026
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Colvars' distancePairs to get minimum distance between molecules
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1
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34
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December 30, 2025
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Clarification on gmx select moltype syntax in GROMACS 2025.3
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1
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42
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December 17, 2025
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Adding external gpu force to gromacs result in energy conservation problem
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8
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110
|
December 10, 2025
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Steered molecular dynamics - umbrella samling
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1
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75
|
December 8, 2025
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Virtual_sites
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13
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189
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December 6, 2025
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