AMBER Archive (2004)

Subject: AMBER: question about J. Am. Chem. Soc. 2001, 123, 5221 paper

From: jwfang (
Date: Thu Sep 23 2004 - 10:15:36 CDT

Dear all,
Junmei Wang et al. JACS paper mentioned "only residues within 12 A of the mass
center of the ligand were used for the normal mode cauculation". It used
nmode to "estimate the contribution of the entropies of association". I
wonder if anybody can tell me how I can use the approach.

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