atravitz / mbar_pmf

A script that uses pyMBAR to calculate potential of mean force for a set of umbrella sampling data

PyMBAR PMF Generator

version number: 0.0.1 author: Alyssa Travitz

Overview

A script that uses pyMBAR to calculate potential of mean force for a set of umbrella sampling data

Installation / Usage

To install use pip:

$ pip install mbar_pmf

Or clone the repo:

$ git clone https://github.com/atravitz/mbar_pmf.git
$ python setup.py install

Example

TBD