[gmx-users] Density of a droplet in spherical coordinate

Alex alexanderwien2k at gmail.com
Thu Jan 24 18:25:58 CET 2019


Dear gmx user,
I have a droplet of some short molecules (it is not perfectly spherical
though), I was wondering how to calculate the density of each molecule type
respect to center of the droplet. In other words the question is how the
density of each molecule type varies in the spherical coordinate along
radius of droplet (r), theta and phi. I am not sure about gmx density as
the output is just a function of r apparently.
Any help or idea is highly appreciated.

Thanks
Alex


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