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.
Thanks!
robert
--
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: rok.ucsd.edu
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
