Radial Distribution Functions of COMs using CG groups

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Elías C

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Dec 19, 2021, 8:26:41 PM12/19/21
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Dear developers and users,

I apologize for my question, I have seen that use COMs to get a RDF is a recurring question in this group. I was searching and I found an answer in Stack Overflow using CG groups, but calculating the center of geometry.

I'm using MDAnalysis 2.0.0 and if I put self.ag.center_of_mass() instead of  self.ag.center_of_geometry(), i didn´t get an error, but I haven´t check the result with another program.

Does anyone know if the result of this code is correct by making the change to calculate the center of mass? I'm using the center of mass of a selection to calculate a RDF?
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