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Details of viscosity estimation (gmx energy -vis)
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6
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1223
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May 11, 2026
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"Segmentation fault", "std::bad_alloc" and "malloc(): invalid size" when running gmx hbond
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11
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1280
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April 30, 2026
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Gmx anaeig problematic error "Dimensions in the eigenvector files don't match"
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0
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20
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April 29, 2026
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Would x3DNA/DSSR functionality built into Gromacs be useful?
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3
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59
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April 10, 2026
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Segmentation fault - pairdist
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1
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41
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April 7, 2026
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GMX Polystat MSID
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4
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39
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March 25, 2026
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How does "-[no]correct (no)" flag works in gmx potential tool?
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12
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322
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March 20, 2026
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Paradoxical Density in OPLS-AA: Diesel mixture density is abnormally LOWER than its lightest compone
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6
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42
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March 15, 2026
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How to plot viscosity in xmgrace by gmx tcaf
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2
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21
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March 3, 2026
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Equilibration not work
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0
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25
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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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87
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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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31
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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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35
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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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2206
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January 14, 2026
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Wrapping trajectories in trjconv
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5
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173
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December 15, 2025
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PCA and DCCA analysis
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1
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34
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December 6, 2025
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PCA and DCCA analysis
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0
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27
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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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278
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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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354
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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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38
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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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57
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November 26, 2025
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Gmx Clustsize Error
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2
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500
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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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124
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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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103
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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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167
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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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33
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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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42
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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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72
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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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49
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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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70
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September 19, 2025
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