Dear friends, I have used g_mdmat
g_mdmat -f traj.xtc -s md.tpr -mean dm.xpm -frames dmf.xpm -no num.xvg I got dm.xpm graph which shows mean of whole simulation residue contacts. How to get information about the particular residue are n contact? I mean to say, Is there any tool to give list of contact residue? In graph file num.xvg there are three columns which I am not able to understand i.e. total, mean and natm. -- Pawan
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