GitHub - shirtsgroup/MBAR_presentation_2_20_19: Files and examples related to MBAR presentation for the Shirts group by Lenny, Wei-Tse, and Garrett on 2/20/19

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Files and examples related to MBAR presentation for the Shirts group by Lenny, Wei-Tse, and Garrett on 2/20/19

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Name		Name	Last commit message	Last commit date
Latest commit History 33 Commits
.idea		.idea
Documents		Documents
NaCl		NaCl
dice_example		dice_example
README		README
run.py		run.py

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This repository contains files related to the MBAR presentation by Wei-Tse, Lenny, and Garrett
for the Shirts research group on 2/20/2019.

Presentation link: https://docs.google.com/presentation/d/1Eo-lBL8GXohwjxiBbAwhyeOk54ELtVSAANj4EuUsLAY/edit?usp=sharing

The Python scripts in this repo require the following external packages:

1) openMM
2) openmmtools
3) pymbar

They have been successfully tested using Python 2.7.

To run all of the examples in this presentation, simply type the following at the command line:

python run.py