From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Apr 13 2011 - 10:38:19 CDT
On Wed, Apr 13, 2011 at 4:39 AM, oguz gurbulak <gurbulakoguz_at_yahoo.com>wrote:
> Dear All,
> Is it possible to make the bonds that doesn’t include hydrogen rigid in
> NAMD ?
you need to write a different integrator for large rigid objects.
it is fairly non-trivial and has particular difficulties in good
as you can see in the documentation for a rigid propagator in the LAMMPS
> Also can I make these bonds rigid if I use Kb=0 or Kb= infinite in the
> equation V(bond) = Kb(b - b0)**2 ? Could you please help me about this
> issue ?
> Thank you very much for your attention.
> Kind regards.
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 Institute for Computational Molecular Science Temple University, Philadelphia PA, USA.
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