Date: Wed, 14 Feb 2001 14:05:55 +0100
From: Christian Pilger
Subject: Re: Amber Parameters

Hi Antonio,

> I am a new Amber user and I am interesting in the calculation of
> some compounds with a benzenesulfonamide moiety but I do not have enough
> parameters for those atoms of the sulfonamide group.
>
> Somebody could give me parameters for this moiety?

I can't give you the parameters, but I can give you two references, in
which calculations on these groups have been done:

R.D. Bindal et al. JACS 1990, 112, 7861-68
J.B. Nicholas et al. J. Phys. Chem. 1991, 95, 9803-11

If you get the parameters from somebody else or derive your own based on
that papers, please share your results with me.

Ciao,

Christian