VMD-L Mailing List

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Fri Sep 21 2007 - 10:41:21 CDT

That might do the work. Thanks for the suggestion!

Michel

2007/9/20, Axel Kohlmeyer <akohlmey_at_cmm.chem.upenn.edu>:
> On Wed, 19 Sep 2007, L. Michel Espinoza-Fonseca wrote:
>
> ME> Hi all,
> ME>
> ME> I'm trying to calculate the sidechain-sidechain correlated motions in
> ME> a short peptide. I was wondering if there is a script to perform such
> ME> task in VMD. Basically I want to determine whether there are concerted
> ME> motions between postively charged residues or not.
>
> how about running a principal component analysis on those
> residues (sidechains) only?
>
> axel.
>
> ME>
> ME> Thanks!
> ME> Michel
> ME>
>
> --
> =======================================================================
> 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.
>
>