AMBER Archive (2007)

Subject: AMBER: PM6?

From: Thomas Patko (CSULB) (tpatko_at_csulb.edu)
Date: Fri Aug 24 2007 - 08:46:16 CDT

AMBER DEVELOPERS:

Is there any interest (or more importantly time allocated) to implement
PM6 for the QM/MM module in AMBER
(http://www.openmopac.net/Features_of_PM6.html)? 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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