You can use a distance restraint with r2 farther than current distance.
Maybe r1 as well so it isn't too steep.
On Fri, Mar 1, 2024, 7:12 AM Matthew Guberman-Pfeffer via AMBER <
amber.ambermd.org> wrote:
> Dear AMBER community,
>
> I’d like to simulate the unbinding of a protein from a receptor complex.
> My initial thought was to use steered MD, but is there a way in AMBER to
> instead define a repulsive potential between the two proteins without
> specifying a specific pulling direction?
>
> Best,
> Matthew
>
>
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Received on Fri Mar 01 2024 - 04:30:02 PST
