Geometric center is the averaged position not taking into account mass,
like center of mass when the mass of all elements is the same.
-Dan
On Sat, Sep 16, 2017 at 6:32 AM Saikat Pal <saikatpaliitg.yahoo.com> wrote:
> Dear all,
> In radial command (amber 2015 reference manual page no 586) there is
> "center" word present. Calculate RDF from geometric center of atoms in
> <solvent mask1> to all
> atoms in <solute mask2>. Is geometric center of atoms same as center of
> mass, if not then what is it ??
> Thanks and regards,
> Saikat
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Sat Sep 16 2017 - 05:00:02 PDT
