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How to use the forum
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0
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4193
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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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2130
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April 24, 2020
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Results differs in different versions
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0
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4
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August 24, 2026
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Wrapping Inquiry
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4
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58
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August 24, 2026
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MDrun: Simulation speed jumping a factor of 10 with a gpu executable
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6
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34
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August 24, 2026
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Removal of Tabulated Potentials from GROMACS 2020
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2
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642
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August 24, 2026
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Query on electrostatic treatment for slab/interface systems (2D periodicity)
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1
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11
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August 24, 2026
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Loss of performance in v. 2021
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27
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1848
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August 24, 2026
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NPγT vs NPT for Unrestrained Membrane Equilibration Using the CHARMM36 Force Field
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9
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96
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August 24, 2026
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CUDA illegal memory access during NPT equilibration
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9
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43
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August 21, 2026
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Port LignAmb25 Force Field to GROMACS
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2
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76
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August 19, 2026
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Running gmx_mmpbsa for protein receptor - homodimer protein complex
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0
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37
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August 18, 2026
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Gromacs for Windows on Arm Architecture for Copilot+PC
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3
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57
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August 18, 2026
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How to use machine learning potential trained by deepmd-kit in Gromacs?
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1
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42
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August 17, 2026
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Segmentation fault during slow SMD pulling through a constricted pore
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7
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68
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August 12, 2026
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PBC-related jumps in protein–protein contact analysis of a Martini CG simulation
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0
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31
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August 12, 2026
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Topology and force-field parameters for Rhodamine B in water
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0
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33
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August 10, 2026
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Use of the CRYST1 values in the DSSP calculation
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8
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103
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August 10, 2026
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Terminates abruptly /crashes
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1
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50
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August 10, 2026
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C-rescale barostat and simulated annealing
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4
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67
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August 6, 2026
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How to add salt？
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1
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58
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August 5, 2026
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Issue generating PFBS anion parameters with LigParGen
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2
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99
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August 5, 2026
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Z‑dimension of the box decreases
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3
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61
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August 5, 2026
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HEAVY_H masses in the CHARMM36m GROMACS force field
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9
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135
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August 5, 2026
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Constructing core shell nanoparticle
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0
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29
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August 4, 2026
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Extend option in gmx convert-tpr
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12
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6100
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August 3, 2026
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RTX 5070 Not Utilized
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3
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720
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August 1, 2026
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Correct protocol for generating independent replicas of a membrane-protein simulation.
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3
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66
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July 30, 2026
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PBC Box Failing to Expand to Input .gro File Parameters + Unwanted Position Restrained Protein
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2
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56
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July 30, 2026
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Advice on CGenFF penalty scores for a large, DFT-optimised molecule
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4
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92
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July 29, 2026
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