AMBER Archive (2006)

Subject: Re: AMBER: about Br- parameters

From: Mathy Froeyen (matheus.froeyen_at_rega.kuleuven.ac.be)
Date: Fri Mar 03 2006 - 08:38:42 CST

Dear,

are you sure about that 1990 jacs reference below?

I found

jacs 1985 107 7793-7794 TP Lybrand, I Ghosh, JA McCammon
Hydration of Chloride and Bromide Anions: Determination
of Relative Free Energy by Computer Simulation.

regards
mathy

On Fri, 3 Mar 2006, Vitor Manuel Sousa F?x wrote:

> Javier
>
> Here you are
>
> charge -1
> R*=2.5950 e=0.090
>
> J. Am. Chem. Soc. 112, 10 1990
>
> If you want you can contact me personaly and then I will send a frcmod file
>
> best wishes
> Vitor

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