[gmx-users] g_covar calculates the eigenvalues

[David van der Spoel]

On Tue, 2004-04-27 at 09:39, Jinzhi Tan wrote:
> Hi, everyone:
> I just used g_covar to get the eigenvalues and eigenvectors. The followings is parts of the eigenval.xvg file. The second volume values are eigenvalues, aren't they? My problem is if I can add all the eigenvalues to get the total value? And then get the percentage of each eigenvalue in total. Just like the first eigenvalue is 3.52687 , the total value is 15.03, then the percentage is 23.4%. I am not sure whether I am right or not. Could you tell me? Thank you very much!
> 
That's correct. The unit for the eigenvalues is nm^2.


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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://xray.bmc.uu.se/~spoel
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