[gmx-users] Variance in ED

[Tsjerk Wassenaar]

Hi Andrea,

The variance associated with an eigenvector is the eigenvalue. The sum
of the eigenvalues captures the total variance. Accordingly, dividing
an eigenvalue by the sum of all eigenvalues gives the part of the
total variance explained by the eigenvector.

Cheers,

Tsjerk

On Thu, Mar 12, 2009 at 5:36 PM, andrea carotti
<andcar at chimfarm.unipg.it> wrote:
> Hi all,
> perhaps a silly question but i didn't find the correct way to calculate
> the variance explained by each eigenvec in ED analysis.
> Could someone point me out to a correct tool/option to use.
> I'm using gmx v3.3.
> Many thanks
> Andrea
> --
> ¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯
> Andrea Carotti
> Dipartimento di Chimica e Tecnologia del Farmaco
> Università di Perugia
> Via del Liceo, 1
> 06123 Perugia, Italy
> phone: +39 075 585 5169
> fax: +39 075 585 5161
> www http://rpg.unipg.it
> personal www http://iris.chimfarm.unipg.it/users/andcar
>
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623