[gmx-users] RMSD Vs Residue no by Grace

Itamar Kass itamar.kass at gmail.com
Mon Nov 30 03:50:54 CET 2009


RMSD is given at a specific time, so you can ran g_rms for each residue
(create index file witha specific residue in) and then take the RMSD of each
residue at time T and plot it.

But I think you should look into g_rmsf, this might fit you better, although
it calculate the fluctuations rather that the distance.


On Mon, Nov 30, 2009 at 1:37 AM, rituraj purohit
<riturajpurohit at gmail.com>wrote:

> Dear friends,
> I am able to plot,  RMSD between Time (ps) by following command by using
> g_rms -s md.tpr -f md.xtc
> xmgrace  rmsd.xvg
> How we can I plot a graph betwwen RMSD and residue no ..??
> My aim is to find RMSD at each residues. How i can do that?
> looking forward for u r important suggestions.
> Thanking you
> Regards
> Rituraj
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20091130/9f4e5a8f/attachment.html>

More information about the gromacs.org_gmx-users mailing list