Hi Subrata,
RDF is supposed to be a frequence as a function of the distance so you
should obtain
several picks: the first one is intra-molecular frequence wile the others
are the inter-molecular
picks. The only exception is if your molecules are so packed that the
hydrogen and oxygen are
of two different molecules are closer than the atoms bound by covalent
bond.
Francesco
2012/9/5 Subrata Paul <paul.subrata34.gmail.com>
> ---------- Forwarded message ----------
> From: Subrata Paul <paul.subrata34.gmail.com>
> Date: Mon, Sep 3, 2012 at 4:27 PM
> Subject: problem in inter molecular RDF
> To: AMBER Mailing List <amber.ambermd.org>
>
>
>
> Dear Sir,
>
> I want to calculate inter molecule RDF between oxygen and and hydrogen of
> urea. Therefore I have used the following command line.
>
> radial Ou-Hu .1 18 :URE.O :URE.H*
>
> But , The command line calculating the intra molecular RDF.
>
> can anyone suggest me, How to remove the intra molecular RDF ?
> --
> *With Best Regards
> Subrata
> PhD Student
> Dept of Chemistry.
> IIT G
> *
>
>
>
>
> --
> *With Best Regards
> Subrata
> PhD Student
> Dept of Chemistry.
> IIT G
> *
> _______________________________________________
> AMBER mailing list
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Cordiali saluti, Dr.Oteri Francesco
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Received on Wed Sep 05 2012 - 00:30:04 PDT
