VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Dec 19 2011 - 12:08:37 CST

On Mon, Dec 19, 2011 at 11:44 AM, Salvatore Mario Cosseddu
<S.M.Cosseddu_at_warwick.ac.uk> wrote:
> Dear all,
>
> The drawing method DynamicBonds draws bonds according to a cutoff.
>
> Let's say I have in my system the species A, B. I want to draw the bonds
> A-B, but I don't want B-B or A-A (even if it happens  their distances are
> within the cutoff). What is the most clean way to do it.

that is currently impossible with the DynamicsBonds representation.

the only way to achieve this would be to write a Tcl procedure
to set/delete bonds manually. not trivial, but doable. it may be
a bit slow, if you have a lot of bonds that need to be drawn/deleted.

cheers,
    axel.

> Many thanks for your help
> Salvatore
>
> --
> Salvatore Cosseddu
> PhD student
>
> Centre for Scientific Computing and School of Engineering
> University of Warwick
> Coventry CV4 7AL
> United Kingdom
>
> email: S.M.Cosseddu_at_warwick.ac.uk 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science and Technology
Temple University, Philadelphia PA, USA.