[gmx-users] Fw: Radial Density Profile

[elham]

 Hi Salman, Thanks for your response.


   ----- Forwarded Message ----- From: Salman Zarrini <salman.zarrini at gmail.com>To: "gmx-users at gromacs.org" <gmx-users at gromacs.org>; elham <e.ghaedsharaf at yahoo.com>Sent: Saturday, November 30, 2019, 03:42:13 AM UTCSubject: Re: [gmx-users] Radial Density Profile
 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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