[gmx-users] human readable input for g_covar

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Oct 4 06:22:10 CEST 2007

Hi Michael,

I have a modified version of trjconv to extract velocities from a .trr and
write them to a .xtc file. You can send me a mail off-list if you're



On 10/4/07, mdaf at sina.com <mdaf at sina.com> wrote:
> Hi:
> I am involving in a project to analyse the vibrational spectrum of a
> peptide. i am trying to do covariance analysis with  the velocity data in a
> .trr file using g_covar, since it doesn't take velocity by default, my plan
> is to output that in a human readable file and swat that with the coordinate
> data, but the program wouldn't take human readable input either. it is there
> a easy way to translate the data back to .trr format or it is there a
> different way to do this task?
> many thanks
> regards
> Michael
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
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