[gmx-users] Pobability of conformational distributions!

[David van der Spoel]

xi zhao wrote:
> Dear sirs:
> How to calculate the probability of conformational distributions in 
> gromacs by PCA method? I often meet it, but I do not know how to define 
> it! The free energy = -KBTln(probability of conformational distribution).
g_sham

> Thank you for your reply!
> 
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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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