Hello Emanuele,
Thanks for the reply. In the provided link rdf may be calculated using
specific atom of a residue ,i.e., ACN.N but i want to calculate
distribution around center of mass of a solute.
On 25 June 2018 at 15:59, emanuele falbo <falbo.emanuele.gmail.com> wrote:
> Dear ,
>
> follow this link , which explains well how to proceed :
>
> http://ambermd.org/tutorials/advanced/tutorial15/Tutorial2.xhtml
>
> Cheers,
> Emanuele
>
> Il 25 giu 2018 10:58, "Shilpa Gupta" <guptashilpa0605.gmail.com> ha
> scritto:
>
> > Dear Amber Users,
> > I have a system in which solute is solvated by water. How can i calculate
> > distribution of water molecules around solute using cpptraj, considering
> > the center of mass of the solute?
> >
> >
> >
> >
> > From
> > Shilpa Gupta
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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Received on Mon Jun 25 2018 - 04:00:02 PDT
