[gmx-users] Cannot find position restraint file

Neena Susan Eappen neena.susaneappen at mail.utoronto.ca
Sun Mar 24 04:39:07 CET 2019

Hello gromacs users,

For the equilibration phase 1, an error message came up following this command:

gmx grompp -f nvt.mdp -c em.gro -p topol.top -o nvt.tpr
Error: Cannot find position restraint file restraint.gro (option -r)

I do not have a posre.gro file, only posre.itp file. I don't understand this, any insight would be appreciated.

Thank you,

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