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Tools to build coarse grained models and perform simulations with OpenMM
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cg_openmm
doc
examples
LICENSE
README.md
environment.yml
manual.pdf
setup.py

README.md

This repository contains tools to perform coarse grained simulations in OpenMM. This repository also enables the use of coarse grained models with OpenMM utilities such as Yank.

Web-based documentation for this software is available via 'readthedocs': https://cg-openmm.readthedocs.io/en/latest/

To use this repository install it using standard Python conventions:

python setup.py install

Dependencies:

For a detailed list of dependencies, and more detailed installation instructions, please read the "Installation notes" section of "manual.pdf".

Testing your installation:

Test your installation by opening a new Python session and typing the following:

import cg_openmm

For full documentation please refer to 'manual.pdf'.

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