Hello all,
I'm trying to determine the details of the QMMM coupling scheme used in the
sander module when doing semi-empirical (PM6, AM1, etc) calculations.
Specifically, the manual doesn't detail the form of h_core in equation
10.3.
Is there a paper that details the implementation?
Alan Chien | Senior Scientist II
*he/him/his*
[image: Schrödinger, Inc.] <https://schrodinger.com/>
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Received on Tue May 23 2023 - 11:00:03 PDT
