Re: [AMBER-Developers] mmpbsa tests (perl and python)

From: Mengjuei Hsieh <>
Date: Tue, 30 Mar 2010 14:46:35 -0700

On Tue, Mar 30, 2010 at 04:45:55PM -0400, Jason Swails wrote:
> I set fillratio to 2.0 and I did not see any appreciable change.
> istrng is still the variable that will make/break the timing described
> previously


The slow problem of pb computation with salt seems to be a gfortran-
-specific problem. It runs okay in our linux box with ifort but I did
observe this slow behavior in my mac laptop with gfortran.

Right now we are working on the part that cause this problem, hopefully
it can be fixed soon.

Mengjuei Hsieh, Luo Research Group, Molecular Biology & Biochemistry,
University of California Irvine.
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Received on Tue Mar 30 2010 - 15:00:04 PDT
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