Re: Amber Parameters

From: Christian Pilger <>
Date: Wed 14 Feb 2001 14:05:55 +0100

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.




 Dr. Christian Pilger

    Istituto di Strutturistica Chimica "Giordano Giacomello"
    C.N.R. - Sezione di Trieste
    Area Science Park - Basovizza
    Strada Statale 14 - Km. 163.5
    I-34012 Trieste/Italy

   Tel.: +39+040+226881
   Fax : +39+040+9221126
Received on Wed Feb 14 2001 - 05:05:55 PST
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