Re: [ESPResSo-users] Gluing Particles Together

[Olaf Lenz]

Hi!

On 03/09/2011 12:27 AM, Lorenzo Isella wrote:
> In the case of straight linear chains, I solved the problem by using
> a combination of a radial potential to fix the distances between
> particles on top of a 3-body bond angle interaction which acted as a
> penalty function for any chain deformation. It is not, however, clear
> to me how to generalize this to aggregates of arbitrary shape.

You might be interested in the "relative virtual sites" feature, that
can be used to generate arbitrary shaped rigid objects out of several
beads, whose positions depend on a single "central" bead.

The feature (and docs) will be in the next release coming within the
next weeks.  Alternatively, you can already get it now if you use the
developer's code.

Olaf

-- 
Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Pfaffenwaldring 27, D-70569 Stuttgart
Phone: +49-711-685-63607

olenz.vcf
Description: Vcard