Hi Ross,
If it doesn't generate too much trouble, let's patch both pbsa and
sander. I'll perform a cvs update for Amber10 tonight.
All the best,
Ray
Ross Walker wrote:
>Hi Ray,
>
>
>
>>Yes or no ... it depends on whether you want to use sander for mmpbsa
>>types of calculations. I'll change the code in Amber10/sander anyway.
>>
>>
>
>If we are going to release a bug fix for Amber 9 me might as well patch both
>the pbsa file and the sander file at the same time no? Can it do any harm to
>do that?
>
>
>
>>But pb_sasa.f is supposed to be deleted from the Amber9 cvs tree.
>>
>>
>
>It is still in the CVS tree and is also part of the release. Although I just
>checked the pbsa Makefile and it is not in there so the file is just dormant
>and does not get used so we won't need the patch for this.
>
>It is still in the Amber10 tree as well so you should probably remove it
>from there.
>
>All the best
>Ross
>
>/\
>\/
>|\oss Walker
>
>| HPC Consultant and Staff Scientist |
>| San Diego Supercomputer Center |
>| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
>| http://www.rosswalker.co.uk | PGP Key available on request |
>
>Note: Electronic Mail is not secure, has no guarantee of delivery, may not
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>
>
>.
>
>
>
--
====================================================
Ray Luo, Ph.D.
Department of Molecular Biology and Biochemistry
University of California, Irvine, CA 92697-3900
Office: (949)824-9528 Lab: (949)824-9562
Fax: (949)824-8551 e-mail: rluo.uci.edu
Home page: http://rayl0.bio.uci.edu/rayl/
====================================================
Received on Wed May 03 2006 - 06:07:12 PDT
