Date: Mon, 5 Aug 2002 08:51:30 -0700
From: "David A. Case"
Subject: Re: Generalized Born and OPLS potential

On Sat, Aug 03, 2002, Soonmin Jang wrote:
>
> As I know, one can incorporate OPLS force field in Amber7 in principle.
> Then, my question is this. Is it possible to have the GB(generalized Born)
> with this OPLS force field ? If so, how ? If not, is there any way that I
> can add the GB potential with OPLS force field ?

You could run GB with OPLS, but the GB parameters have not been optimized
for this (especially not tested at all for united-atom carbons), so I don't
think the results would be very good.

Also, please remember that the OPLS force field files in the Amber
distribution are about 10 years old. The newer OPLS/AA force field parameters
have not (yet?) been coverted to Amber.

...dac