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. Author manuscript; available in PMC: 2012 Aug 16.
Published in final edited form as: Mol Simul. 2012 Jul 4;38(8-9):671–681. doi: 10.1080/08927022.2012.671942

Figure 1.

Figure 1

Schematic illustration of the application of the K-means algorithm to the clustering of water molecules. Circles represent the center of mass of a given cluster, squares represent the center of mass of water molecules, and shaded regions represent the allocation of waters to each cluster in a color-coded fashion. Reprinted with permission of Journal of Physical Chemistry B.9