Physical validation reference
=============================

`physical_validation` is a package aimed at testing results obtained
by molecular dynamics simulations for their physical validity.

Please check [http://physical_validation.readthedocs.io](http://physical_validation.readthedocs.io)
for the full reference.

`physical_validation` largely incorporates the functionality of
[checkensemble](https://github.com/shirtsgroup/checkensemble).

This software is developed in the Shirts group at University of 
Colorado in Boulder.

GROMACS-bundled version
-----------------------
The version of physical_validation shipped with GROMACS 
corresponds to commit 8b80492.
It requires
* numpy
* scipy
* pymbar
