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AMBER Archive (2003)Subject: Re: question about MM-PBSA?
From: Lepsa (lepsik_at_marilyn.uochb.cas.cz)
Dear Lishan,
> TDC 1 -442.789 -2.940 168.946 -37.666 278.644
Note: The last term is not energy! You must use the equation E(SAS) = beta*
Hope this helps,
Martin
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---- Martin Lepsik, PhD student Phone: +420/2/20183-540, Fax: +420/2/20183-292 Dept. of Theor Chem & Center for Complex molecular Systems and Biomolecules Institute of Organic Chemistry and Biochemistry (IOCB) Flemingovo nam 2, Czech Academy of Sciences, 166 10, Prague 6, Czech Rep. URL: www.uochb.cas.cz/~teochem
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