<span class="Apple-style-span" style="border-collapse: collapse; "><div>David thanks for the reply, it was that such references </div><div>I was looking for. One more little thing. These models </div><div>describe poorly only the D of the water or for the other solvents </div>
<div>too? Bests</div><div>eef</div></span>
<br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">Message: 6<br>
Date: Tue, 03 Mar 2009 22:41:04 +0100<br>
From: David van der Spoel <<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a>><br>
Subject: Re: [gmx-users] Diffusion coefficients ( Exp X Simul )<br>
To: Discussion list for GROMACS users <<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>><br>
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<br>
Eudes Fileti wrote:<br>
> Hello, someone could suggest me references<br>
> which discusses the difficulty of obtaining<br>
> values for diffusion coefficients in agreement<br>
> to the experimental values? For water that<br>
> is well known, but I do not know of any<br>
> reference that discusses this topic<br>
<br>
You mean that models do not reproduce D?<br>
You could have a look at JCP 119 pp. 7308-7317 (2003) and references<br>
therein. There is quite a lot of literature.<br>
<br>
> Thanks<br>
> eef<br>
> _______________________________________<br>
> Eudes Eterno Fileti<br>
> Centro de Ciências Naturais e Humanas<br>
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><br>
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</blockquote></div><br>