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HEAVY_H masses in the CHARMM36m GROMACS force field
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9
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187
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August 5, 2026
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Constructing core shell nanoparticle
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0
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46
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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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6147
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August 3, 2026
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RTX 5070 Not Utilized
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3
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750
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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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113
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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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127
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July 29, 2026
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Preprocessing error with CGenFF 5.0 topology: unsupported multiple CHARMM type-9 dihedral parameters
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0
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30
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July 29, 2026
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How create Charmm36 topology parameters for glycans
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2
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80
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July 28, 2026
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Parametrization of pyroglutamate
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2
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73
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July 28, 2026
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AWH convergence for a charged ligand permeating a bilayer
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5
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99
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July 28, 2026
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Trans to cis confirmation at NVT step
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0
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33
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July 28, 2026
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Regressiontests/complex tests fail with intelmpi GHROMACS build
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1
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57
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July 27, 2026
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How to simulate EDLC (Electrochemical Double Layer)?
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1
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173
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July 24, 2026
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Simulation of a dizinc metallo protein
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6
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608
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July 24, 2026
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When is trajectory preprocessing (whole/cluster/nojump/center) actually required for analysis?
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2
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112
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July 24, 2026
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Umbrella sampling simulation pulling towards periodic box using martini 3 forcefield
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3
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70
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July 23, 2026
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X2top not generating listed interactions correctly
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1
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59
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July 23, 2026
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Simulating an Infinite polymer across boundaries
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1
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60
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July 23, 2026
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"No default Per. Imp. Dih. types" when using amber14sb_parmbsc1_cufix force field
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0
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36
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July 21, 2026
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How to remove duplicate frames
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2
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49
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July 20, 2026
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Gmx order for unsaturated AII-Atom lipid chains
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3
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430
|
July 18, 2026
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DNA and protein grouping for RMSD calculations
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0
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43
|
July 17, 2026
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Issue with ligand preparation in CGENFF
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0
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45
|
July 15, 2026
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Multiple gmx processes on GPU(s) ran too slowly
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10
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231
|
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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27
|
July 13, 2026
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RMSD for Protein-Ligand complex
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2
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999
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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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41
|
July 12, 2026
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gmx_MMPBSA for big molecule
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1
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73
|
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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49
|
July 10, 2026
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GROMACS Courtesy
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0
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45
|
July 10, 2026
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