On Mon, Sep 20, 2010, Jorgen Simonsen wrote:
>
> I would like to introduce a distance constraint between two atom - a ligand
> and protein where the ligand is allowed to move 3 tp 6 angstrom away from a
> certain atom - how to do this. The bond option is a harmonic potential
> around some equilibrium value - is there an easier away?
This is exactly what "NMR" distance restraints are designed to do..they
have a "flat bottom" with separate upper and lower bounds. See section 6.1
in the Users' Manual.
...dac
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Received on Mon Sep 20 2010 - 18:30:03 PDT
