[gmx-users] Re: Re: tip4p.itp

Vitaly Chaban vvchaban at gmail.com
Mon May 9 22:07:48 CEST 2011


> On 2011-05-09 20.19, Vitaly Chaban wrote:
> > Does anybody know the reference for TIP4P water, which is supplied
> > in tip4p.itp in the /share folder, please?
> >
> > --
> > Dr. Vitaly V. Chaban, Department of Chemistry
> > University of Rochester, Rochester, New York 14627-0216
> >
> Do you think it is not the regular one?
> @Article{ Jorgensen83,
>   author =       "W. L. Jorgensen and J. Chandrasekhar and
>                   J. D. Madura and R. W. Impey and M. L. Klein",
>   title =        "Comparison of simple potential functions for
>                   simulating liquid water",
>   journal =      "J. Chem. Phys.",
>   year =         1983,
>   volume =       79,
>   pages =        "926--935"
> }
>

Thanks, everyone. I was just recently said about the novel revisions
of the TIP4P model, so I am anxious to provide a correct reference in
the article.

Vitaly



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