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Error in gmx hbond for parameter -hbm
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2
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21
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November 26, 2025
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Box explodes using NPT.mdp
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2
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52
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November 26, 2025
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Large differences in gmx mindist values with and without PBC correction
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5
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37
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November 25, 2025
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Gromacs file and analysis modification
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2
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20
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November 25, 2025
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Why is gromacs replicating the md log files (MPI rank times)
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7
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57
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November 25, 2025
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Query regarding making all .mdp files for ionization, equllibration, energy minimization
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2
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36
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November 25, 2025
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BAD RMSD, help is needed
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1
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48
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November 25, 2025
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GROMACS 2025.3 + Plumed +GPU + MPI
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2
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82
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November 24, 2025
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Keywords in command line for getting good performance in gromacs
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3
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365
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November 23, 2025
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Protein glycan simulation
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4
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44
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November 23, 2025
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How to include bound calcium in amylase structure
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4
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39
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November 21, 2025
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Minimization and Production Errors - Bonds Rotated More than 30 Degrees
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2
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84
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November 21, 2025
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gmx g_rdf on parallel computer
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4
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53
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November 21, 2025
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Viscosity, einstein_blocks, and error-bars
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4
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38
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November 20, 2025
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Gmx Clustsize Error
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2
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472
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November 20, 2025
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Gromacs mpi run command
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1
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39
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November 20, 2025
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Query:Reagrding using the multiple nodes's GPU or CPU to run MD production step in gromacs
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4
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55
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November 20, 2025
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How to determine the number of water molecules in a box? gmx insert-molecules or gmx solvate?
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8
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101
|
November 20, 2025
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GPU-binding with CRAY-MPICH causes crash?
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3
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66
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November 19, 2025
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UMBRELLA SAMPILNG pull reference
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1
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33
|
November 19, 2025
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The potential energy becomes positive after assigning partial charges
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4
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56
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November 18, 2025
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What happened to mmCif file intake?
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1
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32
|
November 18, 2025
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Error at grompp level as the box size is increased?
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3
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54
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November 18, 2025
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Not enough memory when running genconf for a membrane box system
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2
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29
|
November 17, 2025
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Position restraints causing mdrun to stall on step 0
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3
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48
|
November 17, 2025
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Problems creating a covalent bond between a protein and a ligand in GROMACS
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1
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48
|
November 15, 2025
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Error Query Regarding pdb2gmx Generating TOP Files Containing DNA Fragments
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1
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32
|
November 15, 2025
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Create .xtc file with rectangular unit cell?
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7
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59
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November 14, 2025
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Confusion about -DNORMANG in define field of MDP file, where is this flag defined?
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1
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23
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November 14, 2025
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Negative interfacial tension in water-oil system
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3
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34
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November 14, 2025
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