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

[Berk Hess]

Hi,

Please read the manual before posting a question.
g_cover -h will give you the answer.

Berk

> Date: Thu, 5 Mar 2009 15:57:39 +0800
> From: li.dc06 at gmail.com
> To: gmx-users at gromacs.org
> CC: li.dc06 at gmail.com
> Subject: [gmx-users] eigenvec.trr and eigenval.xvg
> 
> 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,
> 2009-3-5
> 
> 
> 
> ========================================= 
> 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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