[gmx-users] radial-density profile and radial distribution curve for water-CNT system

Dan Gil dgilgmx at gmail.com
Thu Aug 11 22:17:10 CEST 2016

The manual for version 4.6 is available online. The analysis command you
want is g_rdf, for version 4.6. g_rdf plots the radial distribution
function, which is what I think you are calling radial distribution curve.
The manual has a nice explanation of it so please check it out. The radial
density profile, must mean the distribution function that is not normalized
by dividing by the local density (the limit as r approaches infinity is not


On Thu, Aug 11, 2016 at 1:20 AM, Ankita Joshi <joshi.dcy2014 at iitr.ac.in>

> Dear Gromacs Users,
> I am working on a water- double walled carbon nanotube system. After the
> completion of simulation using Gromacs 4.6.5, it was found that the water
> molecules are present inside the double walled carbon nanotube as well as
> in the bulk of the system. I want to plot the radial density profile and
> the radial distribution curve. Can anyone tell me how to plot these curves
> and the difference between them?
> Thanks,
> Ankita
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