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Lincs warning during Npt equillibriation step
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1
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30
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April 11, 2024
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Unknown left-hand 'mass-repartitioning-factor' in parameter file
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2
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31
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April 11, 2024
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Is there any way to return the coarse-grained beads to atomsin the martini3 force field?
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0
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27
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April 11, 2024
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Error "mismatch in the contents" in Gromacs
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7
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71
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April 10, 2024
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Editing existing index without reindexing
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1
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26
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April 10, 2024
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Harmonic bond or constraint?
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1
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43
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April 10, 2024
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About the Radial distribution function
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0
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26
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April 10, 2024
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Wrong numbers of atoms in groups obtained with make_ndx
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5
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55
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April 10, 2024
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Gromacs trajectory different when using mmgbsa
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10
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111
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April 10, 2024
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Does nrexcl parameter only apply to bonded system?
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0
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25
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April 9, 2024
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Gpu cluster
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4
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87
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April 9, 2024
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How to add a new forcefield in Gromacs?
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1
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80
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April 9, 2024
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Cutoff distance and PME as Coulombtype error
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2
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40
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April 9, 2024
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How do we compare density profiles when interfaces are not located at the same position in the box?
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0
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27
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April 9, 2024
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I am facing a error. Please help me to resolve it
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5
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189
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November 10, 2023
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Energy minimization of a non orthorhombic surface
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12
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89
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April 9, 2024
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Reading tpx file version 119 with version 103 program
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8
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5681
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April 9, 2024
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Segmentation fault in a mixture (core dumped)
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5
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619
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April 9, 2024
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10 milliseconds long MD simulation
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1
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79
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April 8, 2024
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How to create rtp.file for a specific Chlorophyll a molecule
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3
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39
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April 8, 2024
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I am getting this warning when I am performing Energy minimization
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1
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32
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April 8, 2024
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Scripting gmx pdb2gmx question
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3
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41
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April 8, 2024
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How can I plot RMSF that includes residue name ,not the residue number
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0
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32
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April 8, 2024
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Links Warning in medum time steps
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9
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649
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April 8, 2024
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Is a triclinic box suitable for simulating an elongated structure?
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1
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42
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April 8, 2024
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Steered MD doesn't produce expected force graph
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1
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51
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April 8, 2024
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How can I calculate the persistence length of a polymer using the gmx polystat command?
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2
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47
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April 8, 2024
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What pressure value after NPT is acceptable for Charmm36 force field?
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3
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64
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April 8, 2024
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The atom charges for lipid differ between CHARMM-GUI and the CHARMM GROMACS port
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2
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58
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April 7, 2024
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Solvent deformation during NVT equilibration
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1
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56
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April 7, 2024
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