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. 2011 Jan 24;134(4):044105. doi: 10.1063/1.3530094

Figure 4.

Figure 4

PMF computed in this work for (a) Na – Cl pair of ions, (b) Na – Na pair, and (c) Cl–Cl pair using the PME and ICSM electrostatics methods. The two methods are seen in good agreement for all three types of ions and for different sizes of the simulation box. The curves were made to overlap at the first minimum.