Files for GENESIS QM/MM tutorial
- tutorial15.2: DFTB3/MM-MD of alanine tripeptide
- tutorial15.3: Creating a cluster system using qmmm_generator
- tutorial15.4: Vibrational analysis of phosphate ion in solution
- tutorial15.5: Enzyme reaction 1: Minimum-energy reaction path search
- tutorial15.6: Enzyme reaction 2: Replica-exchange umbrella sampling