[gmx-users] RMSD Vs Residue no by Grace

[Itamar Kass]

Hi,

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.

Best,
Itamar

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
> GRACE..
>
> 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
>
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