[gmx-users] contact residues
pwnrghv at gmail.com
Fri Aug 27 09:20:51 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 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
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