[gmx-users] g_rmsd

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Dec 4 07:42:12 CET 2008

Hi sh-karbalaee,

g_rmsf by default uses deviations from the average structure. You can
write out that structure and use it as reference for g_rms.



On Thu, Dec 4, 2008 at 6:52 AM, shahrbanoo karbalaee
<shahrbanoo at gmail.com> wrote:
> Dear justin
> I want to calculate rmsd  or rmsf from avg structure.Infact I
> calculate standard deviation from average structure.Can I do it with
> command g_rmsf and g_rmsd?thanks for your advise.
> best
> sh-karbalaee
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

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