[gmx-users] Radial Density Profile

[Salman Zarrini]

Hi Elham,

In general to calculate the radial density profile of a droplet-like
object one should do binning (histogram) in spherical coordinate along
radius. That means you should define a series of shell each with thickness
of dr and all centered on center of the vesicle. And then you could count
how many atoms of your interest are withing each shell so that you would
get something like \rho (r) at the end.

Regards,
Salman


On Fri, Nov 29, 2019 at 4:52 AM elham <e.ghaedsharaf at yahoo.com> wrote:

> Dear all, I am working on vesicle structure of surfactants in water. I
> want to calculate the radial density profile of surfactant headgroup atoms
> versus r. The head group atoms are located on the vesicle surface.How can I
> plot the radial density profile of headgroup atoms from the center of
> vesicle versus r ?
>  Best regards
> --
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