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How to use the forum
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0
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4164
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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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2124
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April 24, 2020
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Low GROMACS Performance on RTX 5090 Workstation
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1
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31
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July 13, 2026
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Multiple gmx processes on GPU(s) ran too slowly
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10
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103
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July 13, 2026
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Simulation of whole yeast ribosome to study single residue substitution in core RP
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0
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7
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July 13, 2026
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Gromacs for Windows on Arm Architecture for Copilot+PC
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1
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18
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July 13, 2026
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RMSD for Protein-Ligand complex
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2
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895
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July 13, 2026
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Trajectory preprocessing in peptide self-assembly simulations
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0
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15
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July 12, 2026
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gmx_MMPBSA for big molecule
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1
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20
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July 10, 2026
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X2top not generating listed interactions correctly
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0
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18
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July 10, 2026
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PBC correction for ionisable lipid–lipid bilayer system (GROMACS 2025.4)
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0
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20
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July 10, 2026
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AWH convergence for a charged ligand permeating a bilayer
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0
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11
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July 10, 2026
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GROMACS Courtesy
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0
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19
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July 10, 2026
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TIP4P/Ice .itp File
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0
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17
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July 9, 2026
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gmx_MMPBSA error in Steered Molecular dynamics simulation trajectory
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1
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39
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July 9, 2026
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G_mmpbsa for the gromacs 2025 versions
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1
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33
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July 9, 2026
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Simulating an Infinite polymer across boundaries
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0
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19
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July 9, 2026
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Atoms not completely removed by convert-tpr
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3
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54
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July 8, 2026
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PBC wrapping for Protein-Ligand-Surface system
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0
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16
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July 7, 2026
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Use of refcoordscaling in CHARMM and MARTINI
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0
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15
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July 7, 2026
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Workstation options
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2
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93
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July 7, 2026
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Can CGenFF-generated partial charges differ significantly from QM-derived CHELPG (ESP) charges?
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2
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63
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July 5, 2026
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RMSD analysis of the Protein-Ligand simulation
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0
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38
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July 5, 2026
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How many nanoseconds do I need to capture potential unbinding events for protein-protein interaction
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1
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47
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July 4, 2026
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Simulation of a dizinc metallo protein
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5
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482
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July 3, 2026
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How to deal with Zn ion in Zinc finger protein
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3
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58
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July 3, 2026
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GROMACS 2026.2 duplicate type-9 dihedral errors with CHARMM36-feb2026 and CGenFF 5.0
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1
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27
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July 3, 2026
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How to determine b0 and kb in Zn-coordinated bond
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0
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24
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July 2, 2026
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How to generate a MOL2 ligand file with the correct docking pose, full hydrogens, and physiological
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1
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44
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July 1, 2026
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Efficient Workflow for Multiple Modified Residues
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2
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39
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July 1, 2026
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