Re: [AMBER] 2D radial distribution function

From: Daniel Sindhikara <sindhikara.gmail.com>
Date: Tue, 21 Sep 2010 19:40:14 +0900

Hi,
  It's hard to tell what exactly you're looking for for two reasons:
1) Your links seem to be related to your institution (can you find a
permalink?)
2) What do you mean by 2D RDF? you mean between two different pairs?

If the coordinates are calculable in ptraj (which is likely) then you can
just run ptraj and 2D histogram the results.


--Dan

On Tue, Sep 21, 2010 at 6:36 PM, Lekpa Duukori <duukori.gmail.com> wrote:

> Hi everyone,
>
> Does anyone know of a software that can calculate 2D radial distribution
> functions as described in
>
> *The mean hydration of carbohydrates as studied by normalized
> two-dimensional radial pair
> distributions<
> http://0-apps.isiknowledge.com.darius.uleth.ca/full_record.do?product=WOS&qid=15&SID=4CfNkjLfobNIh86blda&doc=1&colname=WOS
> >
> *
> Andersson C<
> http://0-apps.isiknowledge.com.darius.uleth.ca/DaisyOneClickSearch.do?product=WOS&search_mode=DaisyOneClickSearch&db_id=&SID=4CfNkjLfobNIh86blda&name=Andersson%20C&ut=000085179400003&pos=1
> >
> , Engelsen SB<
> http://0-apps.isiknowledge.com.darius.uleth.ca/DaisyOneClickSearch.do?product=WOS&search_mode=DaisyOneClickSearch&db_id=&SID=4CfNkjLfobNIh86blda&name=Engelsen%20SB&ut=000085179400003&pos=2
> >
> *JOURNAL OF MOLECULAR GRAPHICS & MODELLING* Volume: 17 Issue: 2 Pages:
> 101-+
> Published: APR 1999
>
> Thanks
>
> Lekpa
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>

-- 
Dr. Daniel J. Sindhikara
Institute for Molecular Science
E-mail: sindhikara.gmail.com
Website: http://sites.google.com/site/dansindhikara/
--
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Received on Tue Sep 21 2010 - 04:00:03 PDT