Re: [AMBER-Developers] Parallel make failing

From: Ray Luo <rluo.uci.edu>
Date: Fri, 27 May 2016 09:50:55 -0700

The decomp feature was from Holger's group ... let's don't break it for now.

I think the pbsa/decomp module was from an older version of sander, so
it has to be replaced with the latest version when building the sander
lib. That's my understand how things work as the original developers
planned.

--
Ray Luo, Ph.D.
Professor
Biochemistry, Molecular Biophysics, Chemical Physics,
Chemical and Biomedical Engineering
University of California, Irvine, CA 92697-3900
On Fri, May 27, 2016 at 4:19 AM, David A Case <david.case.rutgers.edu> wrote:
> On Fri, May 27, 2016, Gerald Monard wrote:
>>
>> The two files are different, I suspect pbsa/decomp.F90 is an old copy of
>> sander/decomp.F90.
>
> First, does anybody really do decomposition analysis from pbsa results?  I
> mean, using the pbsa program and not the sander program?  If not, can we
> build pbsa without the need for a decomp.F90 routine?
>
> Thanks to Gerald and Ray for tracking these things down!
>
> ...dac
>
>
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Received on Fri May 27 2016 - 10:00:04 PDT