I always liked what Brooks and Karplus did:
Brooks, C. L.; Karplus, M. J. Mol. Biol. 1989, 208, 159
Tom
On Fri, Sep 14, 2018 at 4:29 PM Hadi Rahmaninejad <ha.rahmaani.gmail.com>
wrote:
> Dear Amber Users,
>
> I am using "rdf" to calculate the density of water around an especial atom.
> As you know, it is "radial" and so it is calculating radial distribution
> function which is an average on x,y and z dimension. However, because I am
> interested in calculating density of water on a surface as a function of
> distance to it (say z dimension), I have to obtain rdf in just one
> dimension(z). I highly appreciate any help if any of you who know a way to
> do it,
>
> Thank you in advance,
> Hadi
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>
--
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Tom Kurtzman, Ph.D.
Associate Professor
Department of Chemistry
Lehman College, CUNY
250 Bedford Park Blvd. West
Bronx, New York 10468
718-960-8832
http://www.lehman.edu/faculty/tkurtzman/
<http://www.lehman.edu/faculty/tkurtzman/index.html>
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Received on Fri Sep 14 2018 - 19:00:02 PDT
