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Segmentation fault - pairdist
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0
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15
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March 3, 2026
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How to plot viscosity in xmgrace by gmx tcaf
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2
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11
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March 3, 2026
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Equilibration not work
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0
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21
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February 17, 2026
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Questions regarding AWH and comparison to MBAR
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3
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48
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February 10, 2026
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Free energy verification by thermodynamic integration in liquid solutions
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0
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19
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January 22, 2026
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The output average of gmx energy differs from the average of the data stored in .xvg
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3
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15
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January 22, 2026
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gmx_MMPBSA: a new tool aiming to perform end-state free energy calculations with GROMACS files
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2
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2116
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January 14, 2026
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Wrapping trajectories in trjconv
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5
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87
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December 15, 2025
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PCA and DCCA analysis
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1
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24
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December 6, 2025
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PCA and DCCA analysis
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0
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20
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December 4, 2025
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How to compute the number of hydrogen bonds per molecule in a pure water system: gmx hbond
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1
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258
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December 3, 2025
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How do we use gmx polystat?
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4
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314
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December 2, 2025
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Gmx chi Alanine residues output
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1
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26
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November 30, 2025
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Error in gmx hbond for parameter -hbm
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2
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34
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November 26, 2025
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Gmx Clustsize Error
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2
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479
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November 20, 2025
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How to make index group for backbone atoms of a protein chain
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3
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99
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October 30, 2025
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Change in Volume Fluctuations / Compressibility for TIP4P/2005 Between GROMACS 2016 and 2024
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6
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85
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October 16, 2025
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Gromacs DSSP Secondary structure analysis
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1
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149
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October 15, 2025
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Viscosity calculation for Ionic Liquid
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1
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21
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October 9, 2025
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Requesting for claud computing system for md production
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2
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37
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October 7, 2025
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PBC effect on RMSD calculation
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2
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48
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October 1, 2025
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How to determine the number of Hydrogen bonds between the amide H and carbonyl oxygen
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0
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36
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September 28, 2025
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Indexing particular residues in GROMACS
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0
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49
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September 19, 2025
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Energy minimizing multiple frames of an MD trajectory
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0
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25
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September 12, 2025
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RMSD graph after protein protein md simulation
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4
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122
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September 8, 2025
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Implementation of the gmx potential '-symm' option
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2
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56
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September 5, 2025
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Issue with re-wrapping and re-centering peptide-protein system
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2
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540
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September 4, 2025
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PBC correction for drug–lipid bilayer system (GROMACS 2024.5)
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0
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50
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August 19, 2025
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Gromacs output files to .nmd file
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0
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33
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August 15, 2025
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Error while analyzing .tpr file generated using gromacs 2025.2
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6
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76
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August 11, 2025
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