pwnrghv at gmail.com
Wed Aug 25 15:45:30 CEST 2010
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.
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