Dear Jenk,
Please provide more information on your calculation. The statistics
output would be a good start.
Best,
Ray
Cenk Andac wrote:
> Dear Amber community,
>
> I was just wondering how one would go about interpretation of PBCAL
> values (in MMPBSA computations) for receptor and complex. PBCAL for my
> receptor has a more negative value than PBCAL for the complex. Does
> this mean that the complex experiences a lower dielectric lattice due
> to some water molecules replaced by the ligand in the binding site?
>
> best regards,
>
> jenk.
>
>
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--
====================================================
Ray Luo, Ph.D.
Department of Molecular Biology and Biochemistry
University of California, Irvine, CA 92697-3900
Office: (949)824-9528 Lab: (949)824-9562
Fax: (949)824-8551 e-mail: rluo.uci.edu
Home page: http://rayl0.bio.uci.edu/rayl/
====================================================
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Received on Wed Oct 18 2006 - 06:07:21 PDT
