VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jun 13 2003 - 15:53:15 CDT

Dear Marc,

> And is there a similarly simple way to apply the force to the whole
> residue instead just one atom (like with the mouse) for the tools ?

Use the "Assigned Rep" tab in the Tools form of VMD 1.8.1
(to be released this weekend!!) to apply forces to a particular
atom selection/representation.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

>
> Thanks in advance,
> Marc Baaden
>
>
> NB: this is on a very simple alanine test case, so minimization is
> almost instantaneous and system size should not play a role.
>
> --
> Dr. Marc Baaden - Institut de Biologie Physico-Chimique, Paris
> mailto:baaden_at_smplinux.de - http://www.marc-baaden.de
> FAX: +49 697912 39550 - Tel: +33 15841 5176 ou +33 609 843217
> 

-- 
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