amber-developers: MM-PBSA patch

From: Robert Konecny <>
Date: Wed, 26 Sep 2007 11:21:58 -0700

Hi Holger,

I'm working on APBS/Amber interface which allows to use most of APBS
functionality from within sander. I have modified your mm_pbsa scripts to
work with sander/apbs and I'd like to have the changes integrated to the
source tree. Are you the mm_pbsa maintainer? Would it be OK to send you the
patch? The patch turns on APBS-related processing only when PROC is set to 3
so it should not have any effect on the rest of the code.



Robert Konecny
W. M. Keck Laboratory for Integrated Biology
NSF Center for Theoretical Biological Physics
NIH National Biomedical Computation Resource
Center for Research in Biological Systems
9500 Gilman Drive, M/C 0365                    E-mail:
University of California, San Diego            Phone:  858-822-5683
San Diego, CA 92093-0365                       Fax:    858-534-4974
Received on Sun Sep 30 2007 - 06:07:14 PDT
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