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