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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.