This repository contains a Jupyter notebook showcasing some of the distinguishing features of the molecular dynamics engine OpenMM.
To run it, download or clone the repository and execute
jupyter notebook openmm_overview.ipynb
from the notebooks directory.
Be aware that in order to run the Python code cells you need to have an Anaconda environment with OpenMM installed. The notebook contains instructions on how to set this up.
This notebook is for reference only and has been created without the involvement of the developers of OpenMM.