AMBER Archive (2003)

Subject: Re: off-diagonal VDW term

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Mon May 19 2003 - 20:24:34 CDT

Hi,

As far as I know AMBER uses additive combination rules.

Ioana

On Mon, 19 May 2003, Jiyoung Heo wrote:

> Dear AMBER users,
>
> I am wondering if AMBER generates the parameters for off-diagonal VDW
> term using geometric mean or if there is a way to specify the
> off-diagonal VDW parameters. It looks like there is no way to set the
> off-diagonal VDW parameters.
> I want to optimize the off-diagonal interaction for two specific atom
> types.
> Thank you.
>
> Jiyoung
>
>
>
>