[gmx-users] Using an rtp file in an non standard directory

Mark Abraham mark.j.abraham at gmail.com
Tue Jul 11 15:05:33 CEST 2017


Make a copy of the whole forcefield. See


On Tue, Jul 11, 2017 at 2:51 PM Miguel Caro <miguel.caro at aalto.fi> wrote:

> Hello,
> I have created my own rtp file which I want to use in conjunction with
> the OPLS force field. If I understand it correctly, the easiest way to
> get pdb2gmx to build my topology would be to copy my rtp file into the
> oplsaa.ff/ directory, and Gromacs looks for my molecule name inside
> anything with an *rtp extension, including my rtp file. However, I have
> no write permission to the oplsaa.ff/ directory of my Gromacs
> installation. How can I get pdb2gmx to search inside my rtp file when
> it's in a non-standard directory (e.g. in the current working directory)?
> Thanks,
> Miguel
> --
> *Dr. Miguel Caro*
> /Postdoctoral researcher/
> Department of Electrical Engineering and Automation,
> and COMP Centre of Excellence in Computational Nanoscience
> Aalto University, Finland
> Personal email: *mcaroba at gmail.com*
> Work: *miguel.caro at aalto.fi*
> Website: http://mcaroba.dyndns.org
> --
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