[gmx-users] g_nmeig & eigenfrequencies

[Yongchul Chung]

Hi all,

I've carried out the normal mode analysis on my system using g_nmeig
command, and from this, I have eigenfreq.xvg, eigenval.xvg, and
eigenvec.trr.

However, I was not aware that I can set the number of eigenvector/frequency
to be written on XVG files (default is 1 to 50 lowest), and now want to get
as many as I can without invoking g_nmeig command. This leads to 2
questions.

1. Is there a way to calculate eigenfreq, and eigenval from eigenvec.trr?

2. If there's none, is there a way to set "-last" flag that it will always
output all the frequency and vector values? I've tried "-1" but does not
work.

I'm using GROMACS 4.5.5.

Thanks,

Greg
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120419/54ec4050/attachment.html>