[gmx-users] entropy calaculted script??

[David van der Spoel]

xi zhao wrote:
> Dear Gro-usr friends:
> I want to calculat the entropy during the md,but lack calculting script 
> for the entropy. Who can provide it for me? Thank you very much!
g_anaeig in the cvs head version does it, but it is not too difficult to 
do it yourself based on the eigenvalues. read the papers.

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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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