https://onlinelibrary.wiley.com/doi/full/10.1002/ijch.201400036 is a review of QM/MM through the 90s. There's a paragraph on the bottom of page 1254 which lists existing capping methods used in QM/MM. We need to follow the references, and extract the algorithms in those references.
https://onlinelibrary.wiley.com/doi/full/10.1002/ijch.201400036 is a review of QM/MM through the 90s. There's a paragraph on the bottom of page 1254 which lists existing capping methods used in QM/MM. We need to follow the references, and extract the algorithms in those references.