From: Luca Muccioli (luca_at_ms.fci.unibo.it)
Date: Thu May 10 2007 - 08:18:44 CDT
dear Alessio,
I suggest you to have a look at a very complete web page by prof.
Martin Chaplin:
http://www.lsbu.ac.uk/water/models.html
cheers
Luca
-------------------------------------------
Luca Muccioli, Ph. D.
Dipartimento di Chimica Fisica e Inorganica
Universita` di Bologna
Via Risorgimento 4
40136 Bologna (Italia)
E-mail: luca_at_fci.unibo.it
Phone: +39-051-6446992
Fax: +39-051-2093690
Web: http://www2.fci.unibo.it/~luca/
On Thu, 10 May 2007, Alessio Alexiadis wrote:
> Hi everybody
> I have a basic question. Water models (like TIP3P, SPC et.) usually are reported with the Lennard-Jones values of the oxygen-oxygen interaction.
>
> 1) What happens to hydrogen-hydrogen and hydrogen-oxygen interaction; are they neglected?
>
> 2) If they are not neglected, why they did not appear in literature?
>
> 3) If they are actually neglected, why in some NAMD tutorials (the one concerning CNTs for instance) there is?
>
> HT -0.046000(epsilon) 0.224500(Rmin/2)?
>
> Thanks
> Alessio
>
>
> ---------------------------------
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