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Coulomb (SR) calculation in PME
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5
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14
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March 12, 2026
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Steered Molecular dynamics of a ligand moving towards bilayer membrane
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0
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12
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March 7, 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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28
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March 6, 2026
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Gromacs-CP2k energy minimization
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0
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24
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February 24, 2026
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Steered MD Simulation error
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19
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111
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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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11
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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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64
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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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25
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February 12, 2026
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MDRun Losing Atoms
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7
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54
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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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38
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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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63
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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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28
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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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41
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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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23
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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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48
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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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75
|
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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1759
|
January 7, 2026
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Steered MD Simulation using Gromacs
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2
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47
|
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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28
|
January 5, 2026
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Colvars' distancePairs to get minimum distance between molecules
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1
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28
|
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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40
|
December 17, 2025
|
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Adding external gpu force to gromacs result in energy conservation problem
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8
|
96
|
December 10, 2025
|
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Steered molecular dynamics - umbrella samling
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1
|
63
|
December 8, 2025
|
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Virtual_sites
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13
|
171
|
December 6, 2025
|
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'topol' does not exist or is not accessible
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2
|
2177
|
December 6, 2025
|
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Illegal memory access error #700 CUDA
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2
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91
|
December 3, 2025
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Box explodes using NPT.mdp
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2
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79
|
November 26, 2025
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Query regarding making all .mdp files for ionization, equllibration, energy minimization
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2
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43
|
November 25, 2025
|
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Keywords in command line for getting good performance in gromacs
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3
|
368
|
November 23, 2025
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