[gmx-users] global rmsf fraction to each eigenvector

[Tsjerk Wassenaar]

Hi Fabricio,

With total RMSF, do you mean over all atoms or total per atom? The
former is simply the eigenvalue divided by the sum of all eigenvalues.
For the latter, check g_anaeig.

Cheers,

Tsjerk

On Fri, Jul 10, 2009 at 7:01 PM, Ragnarok sdf<fabracht1 at gmail.com> wrote:
> Once I have the eigenvalue.xvg, how do I calculate the fraction of
> total RMSF that each eigenvector contributes, i.e., how do I find out
> that, for example, my first eigenvector is responsible for 73% of my
> total rmsf and so on.
> Thank you in advance
> Fabrício Bracht
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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
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