Dear AMBER
In QM/MM-PBSA energy terms, I was wondering in which term the electrostatic interaction between the QM region and MM part is added? In my system there is no covalent bond between the QM and MM regions.
If it is added to ESCF term, so it there any way to split the electrostatic interaction between QM and MM?
Thanks in advance
Elaic
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Received on Tue Apr 19 2011 - 03:00:02 PDT
