[gmx-users] Change forcefield directory

Neena Susan Eappen neena.susaneappen at mail.utoronto.ca
Thu Aug 8 20:27:05 CEST 2019


Hello gromacs users,

I had to add a new residue into forcefield, that required copying aminoacid.rtp file into my home folder (as gromacs is installed on a shared network).
During pdb2gmx, how can I redirect the following to my home folder? Where can I edit this change in forcefield directory?

Select the Force Field:
>From '/programs/x86_64-linux/gromacs/2018.4/share/gromacs/top':

Many thanks,
Neena


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