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Update README.md
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kevinshliu authored Nov 24, 2021
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# Molecular Dynamics Simulations

# Usage
Execute _. run.sh_ in the working directory should automate the process of MD simulations from NVT and NPT equilibration to MD production.
Issuing _. run.sh_ command in the working directory should automate the process of MD simulations from NVT and NPT equilibration to MD production.

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