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How do we use gmx polystat?
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4
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326
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December 2, 2025
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INSANE not compatible with martini3 GM3?
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1
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84
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December 1, 2025
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Simulating a Reverse Transcriptase complex with RNA, DNA
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1
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41
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December 1, 2025
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Rmsf in gromacs
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1
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32
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December 1, 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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Fatal error: No line with moleculetype 'SOL' found the [ molecules ] section of file 'complex.top'
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2
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52
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November 29, 2025
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Dimeric protein handling during simulation
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1
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65
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November 27, 2025
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RNA simulation error with phosphate group atoms of the first nucleotide
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3
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52
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November 26, 2025
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Error in gmx hbond for parameter -hbm
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2
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42
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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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83
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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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74
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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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37
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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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61
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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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43
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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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50
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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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104
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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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371
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November 23, 2025
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Protein glycan simulation
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4
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60
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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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62
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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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114
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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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60
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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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42
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November 20, 2025
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Gmx Clustsize Error
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2
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483
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November 20, 2025
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Gromacs mpi run command
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1
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50
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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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74
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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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199
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November 20, 2025
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GPU-binding with CRAY-MPICH causes crash?
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3
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106
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November 19, 2025
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UMBRELLA SAMPILNG pull reference
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1
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50
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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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65
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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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52
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November 18, 2025
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