[gmx-users] g_nmeig & eigenfrequencies
yxc169 at case.edu
Thu Apr 19 18:46:52 CEST 2012
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
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
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
I'm using GROMACS 4.5.5.
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