[gmx-users] nans in g_anaeig

Tsjerk Wassenaar tsjerkw at gmail.com
Tue Oct 27 21:19:34 CET 2009

Hi Alex,

Can you paste the actual sequence of commands you used?



2009/10/27 alexander yakovenko <yakovenko_a at ukr.net>:
> Hi all!
> I run into a problem trying to project trajectory on the eigenvector(s)
> (with g_anaeig -proj ) from covariace matrix - all projections are nan. The
> eigenvalues are OK, the g_anaeig -comp -v2 -eig2 -over options works OK so
> eigenvectors seems are OK  (but g_anaeig -2d fails to nan too). I am using
> gromacs-4.0.5 on x86-64 CentOS5 (compiled with gcc-34).
> What can help me to project it properly?
> Regards,
> Alex.
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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

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