AMBER Archive (2007)

Subject: Re: AMBER: Pi-pi interactions

From: David Cerutti (dcerutti_at_mccammon.ucsd.edu)
Date: Mon May 21 2007 - 08:13:16 CDT

No, there are no pi-pi interactions in any of the AMBER forcefields. This
is a quantum effect, and is not treated in any classical forcefield.
Emulation of this effect can come about only via favorable van-der Waals
interactions, and hopefully the physics is not upset by the qq/r
point charge interactions.

Dave

On Mon, 21 May 2007, Roberto Veiga wrote:

> Dear all:
>
> are the Amber force fields suitable to this kind of interaction (pi-pi)?
>
> []s,
>
> Roberto
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