Hi,
There's no general way to do a constant force simulation in Amber, but
you can apply a constant force between two atoms (or two groups of
atoms) using NMR distance restraints; the energy "shape" of these
restraints are by default a well with a square bottom and parabolic
sides out to a defined distance, then linear sloping sides beyond
that. The restraint force is constant in the linear regions. See this
(very old) post I made for some more details:
http://archive.ambermd.org/201104/0662.html
Hope this helps,
-Dan
On Fri, Jul 11, 2025 at 3:34 PM MAMTA YADAV via AMBER <amber.ambermd.org> wrote:
>
> Dear AMBER users,
> Is it possible to perform a constant force Molecular Dynamics Simulation in
> AMBER?
> What is the parameter file for that?
>
> Thanks and regards,
> Mamta
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> AMBER.ambermd.org
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Received on Sun Jul 13 2025 - 10:00:02 PDT