Subject: Re: CCL:Parameters -SO3(-)

From: "Gustavo A. Mercier Jr" <[email-masked]>
Date: Mon, 12 May 1997 08:04:30 -0400 (EDT)

Hi, CCl'ers!

A while back I asked about MD/MM parameters for -SO3(-) for amber or
other force fields. Some of you express interest in the reply so
here it is... This is the only reference I got through the CCL.
It deals with -O-SO3(-) primarily.

> 'Force Field Parameters for Sulfates and Sulfamates Based on Ab Initio
> calculations: Extensions of AMBER and CHARMm Fields'
> Cornelis, J.M HUIGE and Cornelis ALTONA
> Journal of Computationla Chemistry, Vol 16, No 1, pp56-79, 1995.
> 

-- 
                                      ("`-/")_.-'"``-._
Gustavo A. Mercier,Jr.,MD,PhD         (. . `) -._    )-;-,_() 
Division of Nuclear Medicine          (v_,)'  _  )`-.\  ``-
Dept. of Radiology                    _;- _,-_/ / ((,'
University of Pennsylvania           ((,.-'  ((,/
3400 Spruce St.                  [email-masked]
Philadelphia, PA 19104         215-662-3069/3091 fax: 215-349-5843