VMD-L Mailing List

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Fri Dec 07 2007 - 09:40:51 CST

It worked very well! That's was exactly what I needed.

Thanks again!
Michel

On Dec 7, 2007 4:20 PM, Axel Kohlmeyer <akohlmey_at_cmm.chem.upenn.edu> wrote:
> hi michel,
>
> did you check out the VMD script library?
> http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/trajectory_path/
> looks pretty close to what you are looking for.
>
> cheers,
> axel.
>
> On Dec 7, 2007 9:30 AM, L. Michel Espinoza-Fonseca
>
> <mef_at_ddt.biochem.umn.edu> wrote:
> > Hi all,
> >
> > I have a NAMD-generated trajectory of the unbinding of a peptide from
> > a protein. I was wondering if there is any way to draw the trajectory
> > of the COM of either the peptide or a selected sidechain using VMD
> > (for example, by creating a path of dummy atoms). All comments will be
> > highly appreciated.
> >
> > Thanks!
> > Michel
> >
> >
>
>
>
> --
> =======================================================================
> 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.
>