[gmx-users] eigenvec.trr and eigenval.xvg

Dechang Li li.dc06 at gmail.com
Thu Mar 5 08:57:39 CET 2009

Dear all, 

    I used g_covar and g_anaeig to generate the eigenvectors of a trajectory.
In the eigenvec.trr (I converted it to .gro file)  file, the first, second and 
third eigenvectors showed that: 

The first: "Generated by trjconv :  in water t=  -1.00000"
The second: "Generated by trjconv : in water t=   0.00000"
The third: "Generated by trjconv :  in water t=   2.13704"

But I saw in the eigenval.xvg file that the eigenvalues are :
1  2.13704 
2  0.492212
3  0.308174

What do the first and second eigenvectors mean? The related eigenvalues are -1 and 0 ?

Best regards,

Dechang Li, Ph.D Candidate
Department of Engineering Mechanics
Tsinghua University
Beijing 100084
P.R. China 

Tel:   +86-10-62773574(O) 
Email: lidc02 at mails.tsinghua.edu.cn


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