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How to use the forum
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0
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4240
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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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2145
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April 24, 2020
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Mdp file differences between CHARMM27 and CHARMM36 parameters
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2
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31
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October 5, 2026
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Chloroform as a solvent in Charmm36 force field
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3
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261
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October 5, 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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29
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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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21
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September 30, 2026
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PlumedMDTests Failing Gromacs 2026.3
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1
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28
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September 29, 2026
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Addition of AMBER OL3 Force field in GROMACS
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2
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82
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September 28, 2026
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Advice on High Penalty in CGenff generated topology
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1
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39
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September 26, 2026
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GROMACS hydrogen-bond analysis question
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1
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37
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September 22, 2026
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PBCs in a slightly complex system
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7
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121
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September 15, 2026
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Inconsistent shifts
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3
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3912
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September 14, 2026
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Port LignAmb25 Force Field to GROMACS
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3
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134
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September 10, 2026
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SAM co-factor with CHARMM force field for GROMACS silmualtion
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14
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494
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September 8, 2026
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Unable to select specific chains (A/B) for a dimer in v2024.3
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6
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132
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September 8, 2026
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Having issue with gmx SASA giving values of 0 for specific protein
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0
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52
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September 8, 2026
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Gmx dssp gives wrong secondary structure results
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6
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1407
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September 7, 2026
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How can I fix a "bi-layer" during an NPT simulation?
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3
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79
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September 7, 2026
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Does the Ewald3D-C long-range correction include a virial contribution?
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2
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66
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September 4, 2026
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Using GROMACS and PLUMED to do a metadynamics simulations
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1
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76
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September 2, 2026
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PBC Box Failing to Expand to Input .gro File Parameters + Unwanted Position Restrained Protein
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3
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91
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September 2, 2026
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Gromacs for Windows on Arm Architecture for Copilot+PC
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6
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114
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September 2, 2026
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Hydrogen Mass Repartitioning-Help
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1
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63
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September 2, 2026
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Solvent accessible surface area calculation in GROMACS
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2
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69
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September 2, 2026
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Constant Electric Field and Membrane Voltage in GROMACS
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1
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59
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September 1, 2026
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Low GROMACS Performance on RTX 5090 Workstation
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4
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273
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August 31, 2026
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Subject: How to calculate protein spreading area on a membrane over time using GROMACS and Martini 3
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1
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62
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August 31, 2026
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Hamiltonian replica exchange error
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1
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50
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August 28, 2026
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NPγT vs NPT for Unrestrained Membrane Equilibration Using the CHARMM36 Force Field
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10
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185
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August 26, 2026
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How to add salt？
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2
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102
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August 26, 2026
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