[gmx-users] g_mdmat

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


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100825/430b3aff/attachment.html>


More information about the gromacs.org_gmx-users mailing list