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How to use the forum
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0
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4184
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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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2128
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April 24, 2020
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NPγT vs NPT for Unrestrained Membrane Equilibration Using the CHARMM36 Force Field
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8
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50
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August 13, 2026
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Wrapping Inquiry
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1
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11
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August 13, 2026
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Segmentation fault during slow SMD pulling through a constricted pore
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7
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54
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August 12, 2026
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PBC-related jumps in protein–protein contact analysis of a Martini CG simulation
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0
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16
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August 12, 2026
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Topology and force-field parameters for Rhodamine B in water
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0
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19
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August 10, 2026
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Use of the CRYST1 values in the DSSP calculation
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8
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95
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August 10, 2026
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Terminates abruptly /crashes
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1
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41
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August 10, 2026
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C-rescale barostat and simulated annealing
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4
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53
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August 6, 2026
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How to add salt？
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1
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42
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August 5, 2026
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Issue generating PFBS anion parameters with LigParGen
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2
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95
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August 5, 2026
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Z‑dimension of the box decreases
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3
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54
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August 5, 2026
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HEAVY_H masses in the CHARMM36m GROMACS force field
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9
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125
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August 5, 2026
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Constructing core shell nanoparticle
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0
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23
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August 4, 2026
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Port LignAmb25 Force Field to GROMACS
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0
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39
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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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6093
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August 3, 2026
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RTX 5070 Not Utilized
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3
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709
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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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54
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July 30, 2026
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PBC Box Failing to Expand to Input .gro File Parameters + Unwanted Position Restrained Protein
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2
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55
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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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74
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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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23
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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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60
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July 28, 2026
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Parametrization of pyroglutamate
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2
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52
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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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77
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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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28
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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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52
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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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154
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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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530
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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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61
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July 24, 2026
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