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

From: Mengjuei Hsieh <mengjueh.uci.edu>
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

Hi,

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.

Best,
-- 
Mengjuei Hsieh, Luo Research Group, Molecular Biology & Biochemistry,
University of California Irvine.
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Tue Mar 30 2010 - 15:00:04 PDT
Custom Search