[gmx-users] TRACE OF RMSD COMPARISON MATRIX
richa.s.rathorerr at gmail.com
Tue Jul 2 07:15:51 CEST 2013
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.
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