Dear AMBER community,
I am working on a system which catalyses group transfer reaction within the
substrate and ligand.
I have simulated this using classical MD. But now i want to study whether i
can observe the actual group transfer or at least breaking or making of the
bonds using qm-mm simulation...
Suggestions on the topic are welcome..
Thank you in advance
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Received on Mon Apr 22 2019 - 06:00:05 PDT
