[gmx-users] TRACE OF RMSD COMPARISON MATRIX

[Gaurav Goel]

Following link might be helpful:
http://orbeckst.github.io/GromacsWrapper/gromacs/core/fileformats/xpm.html

-g
-- 
Gaurav Goel
Assistant Professor
Department of Chemical Engineering
Indian Institute of Technology, Delhi
Hauz Khas, New Delhi 110016
India

On 02-Jul-2013, at 10:45 AM, Richa Singh <richa.s.rathorerr at gmail.com> wrote:

> Hello users,
> 
> I'm using g_rms to compare my actual trajectory obtained from
> simulation with the filtered trajectory (along given set of
> eigenvectors), this gives me an RMSD comparison matrix in xpm format
> where the values of the plot are not clear. Is there any way which can
> help me to get the values along the diagonal of the matrix?
> the command that i followed is:
> g_rms -s ref.tpr -f actual.xtc -f2 filtered.xtc -m rmsd.xpm
> 
> I want to calculate the trace of the matrix basically.
> 
> 
> Regards..
> -- 
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