Hi Ray,
Okay leave it with me and I will apply your patch to both files and run all
the test cases and check everything is okay. I'll then put together a bugfix
file and post it to the amber webpage.
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
be read every day, and should not be used for urgent or sensitive issues.
> -----Original Message-----
> From: owner-amber-developers.scripps.edu
> [mailto:owner-amber-developers.scripps.edu] On Behalf Of Ray Luo
> Sent: Tuesday, May 02, 2006 15:22
> To: amber-developers.scripps.edu
> Subject: Re: amber-developers: AMBER 9 Problems on IRIX and ALTIX
>
> 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
> >be read every day, and should not be used for urgent or
> sensitive issues.
> >
> >
> >.
> >
> >
> >
>
> --
> ====================================================
> 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
