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

Guenter Fritz guenter.fritz at uni-konstanz.de
Tue Oct 17 18:02:28 CEST 2006


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
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