> 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 ?
The code would have to modified to avoid intramolecular interactions
between the two atom selections as this is not implemented... We'll
consider it as a feature request.
In the meantime, I would just look at select urea O's to all H's or visa
versa to get similar information. For example, if urea is residues 1-1000
radial Ou1-Hu .1 18 :1.O :2-1000.H*
radial Ou2-Hu .1 18 :2.O :1,3-1000.H*
--tec3
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Received on Wed Sep 05 2012 - 10:00:03 PDT
