Hi Jose,
yes you can do this by setting the force constant on one side to be zero.
Amber lets you set each side of the harmonic separately using rk2 and rk3.
carlos
On Tue, Mar 21, 2023 at 2:10 PM Jose Luis Guerra via AMBER <
amber.ambermd.org> wrote:
> Hi,
>
> I am wondering if there is a way to implement a half-harmonic restraint on
> a distance between two atoms? (I want the atom of choice to be able to move
> around; I do not have to set a positional restraint).
>
> Best,
>
> Jose Guerra
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Received on Tue Mar 21 2023 - 12:00:03 PDT
