Re: [AMBER] H-bond vs. VdW

From: case <case.biomaps.rutgers.edu>
Date: Mon, 6 Jul 2009 18:29:49 +0100

On Mon, Jul 06, 2009, Cihan Aydin wrote:
>
> How are the van der Waals interactions treated in united-atom force
> fields? Still with the Lennard Jones 6-12 potential? Or is there a
> special parametrization for molecules?

Amber (e.g. ff03ua) still uses a Lennard-Jones 6-12 potential.

...dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 06 2009 - 17:39:50 PDT
Custom Search