[gmx-users] Extract diagonal from xpm matrix

[Kukol, Andreas]

Hello,

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.

Many thanks
Andreas