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How to use the forum
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0
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4265
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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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2151
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April 24, 2020
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Hydrogen Mass Repartitioning with anisotropic pressure coupling
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0
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3
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November 9, 2026
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Gradual Density Drifting During 100 ns GROMACS MD Simulation of two polymer Composite with water
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1
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21
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November 8, 2026
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Title: Guidance on validating CGenFF ligand parameters for GROMACS molecular dynamics simulations
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13
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147
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November 6, 2026
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GROMACS+PLUMED pre-2023 vs. 2024+ give very different exchange proabilities with PT-WTE
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6
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154
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November 5, 2026
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Ligand dissociation in certain frames when viewing in pymol
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1
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42
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November 5, 2026
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How to use NVE on Simulations?
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9
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4432
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November 3, 2026
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Problems installing gromacs 2025.2 on AMD 9070XT GPU with HIP
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23
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898
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November 3, 2026
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Constraints = h-bonds skips hydrogens whose names don't start with H (issue #5745)
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4
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84
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November 1, 2026
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GROMACS 2026.3-dev on gfx1201 (RX 9070 XT) - Device detection failure
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6
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358
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October 31, 2026
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Ligand dissociation from the binding pocket and high RMSD (>8 Å) during MD simulation using
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2
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64
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October 31, 2026
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Insane pdb output
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1
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57
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October 29, 2026
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Local stress first moments for Martini 3 cholesterol: constraints and type-4 virtual sites
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2
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40
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October 29, 2026
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Adding Bond Connection 2'-5' RNA
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1
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46
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October 28, 2026
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Gro files with millions of beads
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1
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54
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October 26, 2026
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PMF plateaus in bulk water instead of returning to zero — DMP permeation through POPC bilayer (GROMA
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2
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80
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October 23, 2026
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How to calculate residue‑membrane contact profile (residue index vs contact count) in GROMACS‑2018 +
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2
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59
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October 20, 2026
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Chloroform as a solvent in Charmm36 force field
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4
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337
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October 18, 2026
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Backport request: Windows GRO trajectory fix (450256fc) missing from release-2025/2026
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0
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42
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October 16, 2026
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Generating GROMACS Topology for a Head-to-Tail Cyclic Peptide Using CHARMM36m
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0
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69
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October 16, 2026
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How create uneven box for all-atom simulation
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4
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71
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October 15, 2026
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Gromacs for Windows on Arm Architecture for Copilot+PC
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7
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155
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October 14, 2026
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Periodicity with nwall=1
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4
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77
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October 14, 2026
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pH dependent simulation
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1
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88
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October 14, 2026
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How to Set Up Zn–Protein Coordination for a Three-Zn Metalloenzyme in GROMACS 2024 Using CHARMM36
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0
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37
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October 13, 2026
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Position restraints and mdp setup after an AmberTools(ZAFF) -> ParmEd -> GROMACS handover
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0
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44
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October 13, 2026
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Mdp file differences between CHARMM27 and CHARMM36 parameters
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4
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120
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October 7, 2026
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Hardware advice: RTX 5080 vs 5090 for 50k-100k atom protein systems
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1
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107
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October 2, 2026
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How to generate a GROMACS topology (.itp) for a silver nanocluster using the INTERFACE Force Field?
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0
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48
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September 30, 2026
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