On Wed, Jan 19, 2011 at 06:12:27PM -0500, Jason Swails wrote:
> I've tested both Amber and AmberTools from a recent git checkout and I've
> summarized what I think the major issues are below:
> sander_pbsa_ipb2 && ./Run.110D.min -- some numbers are significantly
> different, but it may be benign
I just pushed a verified version of pbsa test cases, that should solve
some of the issues.
Tested on i386 linx / x86_64 Mac OS X with gfortran / intel fortran.
Best,
--
Mengjuei
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Received on Thu Jan 20 2011 - 17:00:02 PST
