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

Miguel Caro miguel.caro at aalto.fi
Tue Jul 11 14:51:28 CEST 2017


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)?



*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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