VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri Jul 24 2009 - 09:19:52 CDT

On Fri, 2009-07-24 at 16:06 +0300, Dawn wrote:
> Hi,
>
> I have the CHARMM MD trajectory. I want to calculate the average RMSD
> over all snapshots for each residue. Would you please tell me where I
> can get the script?

from your text editor.

vmd has already the rmsd trajectory tool plugin included
which you might want to adapt for your purposes,
    axel.

>
> Thanks a lot!
>
> Dawn 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.