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. 2021 May 11;6(20):13204–13217. doi: 10.1021/acsomega.1c01071

Figure 4.

Figure 4

Sulfate terminal oxygen–Ca2+ radial distribution functions for methyl sulfate. MeS = methyl sulfate simulation with Ca2+ using c36_jul20 force field. MeS’ = methyl sulfate simulation with Ca2+ using c36_jul17 force field. In each panel, the four different colored traces are from four independent simulations.