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Erorr in energy minimization
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3
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45
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June 25, 2022
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Very custom constraints issue
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2
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38
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June 3, 2022
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The largest distance between excluded atoms is 1.725 nm, which is larger than the cut-off distance
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10
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275
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May 13, 2022
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Energy min excluded atoms
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5
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167
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May 9, 2022
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Non-zero net charge at pdb2gmx leads to fatal error in grompp
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9
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115
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May 3, 2022
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An error related to grompp
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4
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107
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April 26, 2022
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Grompp with alternative ligands, adding to ff
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1
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66
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April 13, 2022
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Dih types error in ions adding steps in gromacs
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3
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61
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April 2, 2022
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Analysis of interaction between GOLD and protein
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1
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59
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March 31, 2022
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Invalid order for directive atomtypes (error)
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4
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109
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March 22, 2022
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An error while executing command : gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr
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4
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136
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March 6, 2022
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Why does not dihedral angle parameters generate for new molecules?
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8
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156
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February 24, 2022
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How do I handle "Invalid order for directive defaults" in Gromacs
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2
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51
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January 31, 2022
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An error occurred while executing the Adding Ions command
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9
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139
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January 25, 2022
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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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136
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January 19, 2022
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Fatal error: There were 2 errors in input file(s)
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5
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238
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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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164
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December 3, 2021
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Indexing issue and grompp
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3
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108
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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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245
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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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120
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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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115
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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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198
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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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88
|
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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90
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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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138
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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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134
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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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258
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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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1091
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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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310
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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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172
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March 30, 2021
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