VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu May 25 2006 - 14:54:21 CDT
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Hi,
The "measure rmsf" command in VMD 1.8.4 only calculates the RMSF for
each atom independently and doesn't do any sort of summing of atoms in
groups. You could do this yourself in a Tcl script if you know what
you want. If what you really want is rmsd for these groups of atoms,
then use "measure rmsd" instead.
John Stone
vmd_at_ks.uiuc.edu
On Wed, May 24, 2006 at 01:07:55PM +0200, Leyla Celik wrote:
>
> Hi,
>
> I want to calculate the rmsf fluctuation for groups of atoms (aminoacid
> groups). Is this possible and if so how do I implement it in Tcl?
> If it is not possible to do for groups of atoms I would also like some
> help impelementing if for sigle atoms.
>
> Thanks
>
>
> --
> Leyla Celik
> Kemisk Institut
> Aarhus Universitet
> Langelandsgade 140
> 8000 Århus C
> Danmark
> Tlf: +45 8942 3869
> e-mail: lc_at_chem.au.dk
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
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