NVT steps Command : gmx grompp -f NVT.mdp -c EM.gro -p topol.top -n index.ndx -o nvt.tpr
Error:
Fatal error:
[ file strong_posre_make_ligand.itp, line 5 ]:
Atom index (4579) in position_restraints out of bounds (1-43).
This probably means that you have inserted topology section "position_restraints"
in a part belonging to a different molecule than you intended to.
In that case move the "position_restraints" section to the right molecule.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
Please help me out for this issue. I will be thankful to you.
You have to follow the topology file structure
http://www.gromacs.org/Documentation/Errors#Atom_index_n_in_position_restraints_out_of_bounds
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