From: Thomas Patko (CSULB) <"Thomas>
Date: Fri, 24 Aug 2007 06:46:16 -0700


Is there any interest (or more importantly time allocated) to implement
PM6 for the QM/MM module in AMBER
( From my work with some
model heme model systems, it seems to produce better geometries than
AM1, RM1 and PM3.

Any thoughts?

I appreciate the consideration.

--Thomas Patko

Graduate Student
Department of Chemistry & Biochemistry
California State University, Long Beach
Dr. Marco Lopez Research Group
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Received on Sun Aug 26 2007 - 06:07:40 PDT
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