[gmx-users] eigenvec.trr and eigenval.xvg
gmx3 at hotmail.com
Thu Mar 5 13:51:40 CET 2009
Please read the manual before posting a question.
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> 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,
> 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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