[AMBER] QM/MM calculation in Amber

From: Albert <mailmd2011.gmail.com>
Date: Sat, 5 Aug 2017 08:39:52 +0200


I would like to perform QM/MM calculation for the energy of an enzyme
transitional stage. I have seen there is a simple QM/MM tutorial in the
Amber webpage, however it has nothing to do with how to scan the
transitional stage. So I am just wondering is there any other more
detailed tutorial showing how to scan enzyme catalytic transitional stage?

Thanks a lot


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Received on Sat Aug 05 2017 - 00:00:02 PDT
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