[gmx-users] plot rmsd of single atom / residue

[Viswanadham Sridhara]

May be you can build an index file which has that specific residue or atom
and use it.
If not, definitely you can make trajectory with that single atom/ residue
and then use g_rmsd to get what you want.

I hope its clear.

On 10/17/06, Guenter Fritz <guenter.fritz at uni-konstanz.de> wrote:
>
> Dear Viswanadham,
>
> I used g_rmsd but did not find out how to select a single atom or
> residue. I just got as far as the pre-defined groups in g_rmsd (groups
> 1-14).
> Is there something like a a "sub-option" ?
>
> > You mean you dint find g_rmsd subroutine or you dint know the way to
> > use g_rmsd?
> >
> > On 10/17/06, *Guenter Fritz* < guenter.fritz at uni-konstanz.de
> > <mailto:guenter.fritz at uni-konstanz.de>> wrote:
> >
> >     Dear all,
> >
> >     I want to extrat  a rmsd of a single atom or specific residue from
> >     the
> >     md trajectory. Should be simple but I didn't dind it.
> >     Thanks,
> >     Guenter
> >
> >
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> >
> >
> > --
> > Viswanadham Sridhara,
> > Research Assistant,
> > Old Dominion University,
> > Norfolk, Va-23529.
> >
> >------------------------------------------------------------------------
> >
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>
> --
> ***********************************
>
> Dr. Guenter Fritz
> Fachbereich Biologie
> Sektion Naturwissenschaften
> Universitaet Konstanz
>
> Universitaetsstrasse 10
> Postfach M665
> D-78457 Konstanz
>
> e-mail: Guenter.Fritz at uni-konstanz.de
>
> http:\\www.biologie.uni-konstanz.de\fritz
>
> Tel.: +49-(0)7531 88 3687
> Fax:  +49-(0)7531 88 2966
>
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-- 
Viswanadham Sridhara,
Research Assistant,
Old Dominion University,
Norfolk, Va-23529.
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