/pRDF

calculating the primal radial distribution function.

Primary LanguageC++GNU General Public License v2.0GPL-2.0

pRDF

A program designed to calculate the proximal radius distribution function (pRDF) of solvent by using the trajectory of gromacs.

Dependency

xdrfile from gromacs.org

Usage

pRDF coor_file traj_file index_file data_file

Copyright

Written by Zhu H. VERSION 1.1.0