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How to use the forum
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0
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4151
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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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2116
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April 24, 2020
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Multiple gmx processes on GPU(s) ran too slowly
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2
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24
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June 18, 2026
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Run gmx energy on a large number of systems
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2
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22
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June 18, 2026
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Questions about inter domain/chain distance restraint
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0
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11
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June 17, 2026
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[Help] Seeking MDP files for graphene oxide / phenol / water adsorption system
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0
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16
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June 16, 2026
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WT vs mutant protein-protein complex MD: should mutant be generated from WT docked complex or redock
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0
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14
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June 15, 2026
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Atoms not completely removed by convert-tpr
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2
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28
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June 15, 2026
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Forcefield for guanidium acetate
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0
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27
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June 12, 2026
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Surface tension calculation of gas-liquid interface
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2
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203
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June 12, 2026
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Polymer expansion instead of compression when using wall potential in Gromacs?
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6
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39
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June 12, 2026
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IFT in CG simulation using MARTINI 3.0
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1
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32
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June 12, 2026
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Charmm36 and lj-pme setting
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2
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57
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June 12, 2026
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Shear Viscosity Calculation for Isotropic Molecules
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7
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73
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June 9, 2026
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Deform by Gromacs to apply shear rate
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8
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2562
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June 9, 2026
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ForceField for Intrisically disordered protein
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14
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104
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June 8, 2026
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Statistical Analysis Method for Peak force and total work in Steered molecular dynamics
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3
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59
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June 4, 2026
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What if the protein contains mutations and missing residues?
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2
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51
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June 4, 2026
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Gmx anaeig problematic error "Dimensions in the eigenvector files don't match"
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4
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46
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June 3, 2026
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Modified dihedral notation
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6
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67
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June 3, 2026
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Convert amber to gromacs
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0
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39
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June 2, 2026
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Force Field-angle
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2
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35
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June 1, 2026
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Is there a way to perform simulations with less standard addatives?
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3
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47
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June 1, 2026
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Calculating the free energy of binding using AWH approach
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8
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131
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May 28, 2026
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Box changing shape after equilibration
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8
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116
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May 26, 2026
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GROMACS 2026.3-dev on gfx1201 (RX 9070 XT) - Device detection failure
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5
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76
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May 26, 2026
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DCLE diffuse into Bulk solution from membrane after 1.8 ns equilbration in HMMM (Charmm-Gui)
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0
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30
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May 26, 2026
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Possible inconsistency when mixing GROMACS 2023.1 and 2025.x for umbrella sampling workflows
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2
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51
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May 23, 2026
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Protein small molecule simulation
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1
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36
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May 21, 2026
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For those who wanna build on Windows with Visual Studio 2026
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1
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51
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May 20, 2026
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