[gmx-users] Extract diagonal from xpm matrix
a.kukol at herts.ac.uk
Wed Jan 14 11:51:10 CET 2009
Is there any way to extract the diagnonal from an xpm matrix ?
What I am trying to do, is to calculate the RMSD between two trajectories using g_rms:
g_rms -s topol.tpr -f traj1.xtc -f2 traj2.xtc -m rmsd.xpm
and the RMSD at the same time points is supposed to be the diagonal of the rmsd.xpm matrix. Maybe there is another way to do it.
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