Jeffrey,
> All *.out files are attached. It is another run of the MMPBSA script, in which PBSOL is not equal to PBSUR + PBCAL.
>
It looks that in file "sansphot_statistics.out" this is correct, i.e.
PBSOL = PBSUR + PBCAL.
All the best,
Ray
==========================================
Ray Luo, Ph.D.
Associate Professor in Computational
Biochemistry and Molecular Biophysics
Dept of Molecular Biology and Biochemistry
Dept of Biomedical Engineering
University of California, Irvine, CA 92697-3900
Email: rluo.uci.edu Phones: (949) 824-9528, 9562
Web: http://rayl0.bio.uci.edu/rayl/
==========================================
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Received on Wed Mar 24 2010 - 14:30:02 PDT
