VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Oct 08 2013 - 08:51:36 CDT

Olaf,
  How about using "measure contacts"?
You can provide a specific distance criteria for measure contacts,
and that might do the trick.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Oct 08, 2013 at 10:31:45AM +0200, Olaf Lenz wrote:
> Hi!
>
> For a tutorial, I wanted my students to visualize all pairs of particles
> in a system that are closer than a given distance $a$. I thought this to
> be a simple application of "within" selection, something like:
>
> exwithin 1 of all
>
> Unfortunately, this will not show anything. Finally, I noticed that it
> is not actually that simple, and I was not able to solve the problem.
> Does anybody have an idea how to do that? It would be really useful!
>
> Olaf
> --
> Dr. rer. nat. Olaf Lenz
> Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
> Phone: +49-711-685-63607 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/