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 in contact? how to get list of contact residues? In graph file num.xvg there are three columns which I am not able to understand i.e. total, mean and natm. What is total, mean and natom Please rectify this -- Pawan
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