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Protein ligand complex and aggregation
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0
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18
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January 29, 2025
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Residue 'FE' not found in residue topology database
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0
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24
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January 29, 2025
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Gromacs 2024.2 giving weird result!
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9
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714
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January 29, 2025
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"No default Bond types" error during grompp for specbond.dat bonds
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0
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20
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January 29, 2025
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GROMACS versions
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1
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24
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January 29, 2025
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GPU not being enabled even though I compile it with CUDA support on a Azure VM
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2
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75
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January 29, 2025
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Resolving Charge Imbalance for CHARMM DNA Backbone Parameterization in GROMACS
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2
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29
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January 28, 2025
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Gmx rms will not write .dat file
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1
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24
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January 28, 2025
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Does different GROMACS versions affect results?
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9
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400
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January 28, 2025
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Simulating pulling a small solute across a lipid bilayer
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7
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36
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January 28, 2025
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Question regarding choice of group for Least Square Fitting Step
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4
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2009
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January 28, 2025
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Protein denaturation
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0
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19
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January 28, 2025
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Brownian Dynamics (friction coefficient vs tau_t)
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1
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39
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January 28, 2025
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Estimating diffusion constant for AWH simulation
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1
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43
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January 28, 2025
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How to calculate long-range interactions using GROMACS?
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3
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54
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January 28, 2025
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Error regarding computational box
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0
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29
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January 28, 2025
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Error creating a protein topology
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0
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10
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January 28, 2025
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DNA TOP file
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2
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34
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January 27, 2025
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No default U-B Types
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0
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63
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January 16, 2025
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How to Place a Peptide Near DNA in a Box
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0
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14
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January 27, 2025
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Editconf -bt dodecahedron -c does not appear to place protein in middle of dodecahedron
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2
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58
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January 27, 2025
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User discussion category close due spam attach for a while
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0
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13
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January 27, 2025
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Assistance with “Scattered Bound Ion Issue” in GROMACS Trajectory Extraction
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1
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15
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January 27, 2025
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Information to user discussion
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1
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79
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February 3, 2025
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MD simulation of charged ligand
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2
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61
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January 27, 2025
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There are 2 perturbed non-bonded pair interactions beyond the pair-list cutoff
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1
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36
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January 27, 2025
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RMSD value very high
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1
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55
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January 27, 2025
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No default bond, dihedrals, angles
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0
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14
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January 27, 2025
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Simulation stalled despite appearing active
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2
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45
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January 26, 2025
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Running simultaneous jobs in a same machine
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2
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34
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January 26, 2025
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