[gmx-users] gcpr tutorial

[Najmeh Fani]

Hello
please help me I have a question
 in gpcr tutorial when I run energy minimization process for inflategro with
this command:
grompp -f EM.mdp -c system_inflated.gro -p topol.top -o EM.tpr -maxwarn 5
I seen an error :
Fatal error:
[ file strong_posre.itp, line 57 ]:
Atom index (53) in position_restraints out of bounds (1-52).
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



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