Flatiron Institute MD Course.
Google Colab notebooks for lecture 3:
- openmm_lj_chain-SMH.ipynb -- now includes
force.setUseSwitchingFunction(True)
andforce.setSwitchingDistance()
. - openmm_villin-SMH.ipynb
- https://github.com/schrodinger/pymol-open-source