From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Wed Apr 13 2011 - 10:32:07 CDT
Rigid bonds to non-hydrogens are not implemented, and it would be very
difficult to support rigid bonds between atoms in different migration
groups. We've been able to get by without this just fine so far.
Making the force constant infinite will require you to use a timestep of 0
for an infinite number of steps for the simulation to be stable.
-Jim
On Wed, 13 Apr 2011, oguz gurbulak wrote:
>
Dear All,
>
Is it possible to make the bonds that doesn’t include hydrogen rigid in
NAMD ?
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.
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