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-- Ray Luo, Ph.D. Professor, Biochemistry, Molecular Biophysics, and Biomedical Engineering University of California, Irvine, CA 92697-3900 On Tue, Feb 11, 2014 at 12:07 PM, Jason Swails <jason.swails.gmail.com> wrote: > On Tue, 2014-02-11 at 09:45 -0800, Ray Luo, Ph.D. wrote: >> Okay, I'm looking into this. So far I've only tested sander/pbsa/nab ... >> will test mmpbsa.py and mpi version next ... > > OK, I figured out what was wrong, and it had nothing to do with your > additions. PBSA and sander share several header files, and one of them > (md.h) was recently changed in the sander source directory but not in > the pbsa (or sqm) directories. Making this update fixes the problems I > was seeing. > > All MMPBSA.py tests are now passing for me again. > > All the best, > Jason > > -- > Jason M. Swails > BioMaPS, > Rutgers University > Postdoctoral Researcher > > > _______________________________________________ > AMBER-Developers mailing list > AMBER-Developers.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber-developers _______________________________________________ AMBER-Developers mailing list AMBER-Developers.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber-developersReceived on Tue Feb 11 2014 - 13:00:02 PST