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Adding ions 'gmx grompp' creates error "Atomtype ca not found" for ligand generated with GAFF
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1
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22
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January 19, 2022
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An error occurred while executing the Adding Ions command
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5
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43
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January 14, 2022
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Fatal error: There were 2 errors in input file(s)
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5
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45
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January 8, 2022
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Non converging Fmax in energy minimization
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3
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63
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December 3, 2021
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Indexing issue and grompp
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3
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61
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October 27, 2021
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Using restraints in production MD for Protein-Ligand complex
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1
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110
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September 20, 2021
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How to fix 'no such molecule type SOL'
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1
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39
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September 14, 2021
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PNM in energygrp-table is not an energy group
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2
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56
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August 31, 2021
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Buckingham + 18-6 Lennard-Jones
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2
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102
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August 25, 2021
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Grompp fails with Atomtype starting with number and ending with underscore
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0
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47
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August 9, 2021
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I would like to create a special index group consisting of protein and lipids (POPG/POPE)
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1
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48
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August 5, 2021
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Duplicate atom index (1) in virtual_sites3 error when running command "gmx grompp -f ions.mdp "
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2
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70
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July 27, 2021
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Chimera error "unexpected end of file" caused by .tpr files generated by 2020 and 2021 versions
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0
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57
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June 14, 2021
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invalid order of directives cmaptype
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1
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141
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April 29, 2021
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Number of coordinates did not match in coordinated file with the topology file
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10
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483
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April 15, 2021
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Simulating a simple liquid with GROMACS
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5
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169
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April 13, 2021
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Starting simulation from another trajectory using -t grompp option - How are PBC treated?
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3
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87
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March 30, 2021
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Adding non-natural amino acid
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2
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144
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March 14, 2021
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