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. Author manuscript; available in PMC: 2009 Nov 19.
Published in final edited form as: J Am Chem Soc. 2008 Oct 28;130(46):15405–15419. doi: 10.1021/ja803575y

Figure 5.

Figure 5

Number distributions noxy(r) of water oxygens around K+. Each curve represents an individual simulation in which the natural partial charges of only a subset of randomly selected water molecules nw in the simulation box are turned on, while the natural partial charges on the remaining water molecules in the simulation box are turned off. The inset illustrates a representative configuration when the partial charges on exactly nw = 8 water molecules are turned on.