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. Author manuscript; available in PMC: 2018 Oct 8.
Published in final edited form as: J Chem Inf Model. 2018 Aug 30;58(9):1766–1778. doi: 10.1021/acs.jcim.8b00166

Figure 5.

Figure 5

OO, OH and HH RDFs for an optimized TIP3P type model with a LJ potential (TIP3P-LJ OPT). The parameter set of TIP3P-LJ OPT is parametrized with the fitting procedure shown in this work. Compared to OO, OH and HH RDFs for TIP3P with original parameter set (TIP3P-LJ OG) and experimental Soper data. [17]