Symposium on Molecular Interactions in Chemistry and Biology 2017

This is the repository containing content and tutorial information for the "Symposium on Molecular Interactions in Chemistry and Biology 2017".

Manifest

• Free_energy_day: Content and materials relating to the first day's sessions on free energies, etc., using OpenMM. See Free_energy_day1/README.md for additional information
• Protein_membrane_day2: Content and materials relating to the second day's sessions on protein and membrane simulations in GROMACS.
• 'Theory_electronic_structure_day3': Content and materials relating to the second day's sessions on exploring intermolecular interactions with electronic structure theory using Psi4.