Created by Frederico Campos Freitas
This is a set of scripts to evaluate the number of contacts and/or contact probability in a GROMACS-SMOG simulation. Some features were implemented to fit our needs, so feel free to make any changes in order to tailor the scripts to your needs.
It relies on mdtraj and numpy libraries, so take a look at the requirements.
You may find some useful information in the scripts' comments.
Contact us if you need some help: fredcfreitas(at)gmail.com