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
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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
e-mail: cpilger_at_oc30.uni-paderborn.de
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Received on Wed Feb 14 2001 - 05:05:55 PST
