Subject: Re: CCL:Question: computer models of water

From: "Fernando Luis Barroso da Silva" <[email-masked]>
Date: Fri, 27 Nov 1998 10:58:55 +0100

> Dear Netters,
>  
> I am looking for a paper with a comparison of different computer 
> models of water used in MD simulations, e.g TIP3, TIP4, SPC, etc.
> Could you please, help me? I will summarize responses.
>  
> Yours sincerely,
>  
> Robert Jankowski, PhD student

   Hello Robert!

   I good start point is:
   W.L.Jorgensen et al, "Comparison of simple potential functions for
   simulating liquid water", JCP 79(2) 926, 1983.

   There is a useful table about this comparison in a paper written 
   by M.Levitt. The reference is Chemica Scripta 29A, 197 (1989).

   Best regards,

        Fernando.

--

Fernando Luis Barroso da Silva
Physical Chemistry II - Chemical Center
POB 124 - Lund University                  Fax: +46 (46) 2224543
S-221 00 Lund, Sweden                    Phone: +46 (46) 2228241 (lab)
E-mail: [email-masked]             +46 (46) 2220381 (office)
        [email-masked]
        
         http://www.fkem2.lth.se/personnel/fernando/dasilva.html
         http://idefix.ffclrp.usp.br/barroso/fernando.html