FlatironMDCourse

Flatiron Institute MD Course.

Google Colab notebooks for lecture 3:

• openmm_lj_chain-SMH.ipynb -- now includes force.setUseSwitchingFunction(True)and force.setSwitchingDistance().
• openmm_villin-SMH.ipynb
• https://github.com/schrodinger/pymol-open-source