[gmx-users] Cannot find position restraint file

[Hadi Rahmaninejad]

How did you include your posre.itp into your simulation?

Sent from my iPhone

> On Mar 23, 2019, at 11:39 PM, Neena Susan Eappen <neena.susaneappen at mail.utoronto.ca> wrote:
> 
> 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,
> Neena
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