VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed Jun 28 2006 - 14:51:52 CDT

On Wed, 28 Jun 2006, Leyla Celik wrote:

LC> Hello,
LC>
LC> Does anyone know if there is a script to calculate correlated motion from a MD
LC> trajectory with VMD / Tcl???

leyla,

can you please elaborate a little bit what exactly you
want to achieve and what kind of data you have available.

do you mean something like velocity (or 'displacement')
cross correlations between groups of atoms?

regards,
    axel.

LC>
LC> Thanks in advance
LC> Leyla
LC>
LC>
LC> 

-- 
=======================================================================
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.