[gmx-users] Uncorrelated configurations

[David van der Spoel]

Eudes Fileti wrote:
> Dear Gmx Users
> I have one trajectory of 800ps. I need extract of
> this trajectory, only the uncorrelated (statistically independent)
> configurations. So I need know how many ps separates two consecutive
> configuratios. Which procedure I can use for this analysis?

what is the definition of correlation in this context?

you don't even say what system it is...


> Thanks
> eef
> 
> 
> ______________________________________
>                                       Eudes Eterno Fileti
>           Centro de Ciência Naturais e Humanas
>                         Universidade Federal do ABC
>                                   Rua Santa Adélia, 166
>                                             CEP 09210-170
>                                                skype: eefileti
> 
> 
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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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