Active Topics | Active Posts | Unanswered Posts Past 24 hours | Past 48 hours | Past 7 days
Forum   Subject
QM/MM Discussion and Questions
Jump to new posts QM/MM by astrum_11 @ 10/10/17 10:57 AM

I would like to run QM/MM, treating the QM using SCC-DFTB3 and the MM region using CHARMM FF. Is there a tutorial I could follow using CHARMM, and where would I be able to source the script files for Running QM/MM.