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. Author manuscript; available in PMC: 2013 Jul 31.
Published in final edited form as: J Phys Chem B. 2012 Mar 21;116(23):6936–6944. doi: 10.1021/jp3002383

Figure 6.

Figure 6

The static dielectric constant for SPC (black line), SPC/E (blue line), and SPC/DC (gold line) over the course of 50 ns of molecular dynamics at 298.15 K and 1 atm. The lines are averages of five simulations, and the shaded regions show the standard deviation of these averages. The plots show that the models have difficulty converging ε(0) on time-scales less than 10 ns, the length of simulations in our dielectric correction procedure. Longer simulations would likely aid in optimization processes set to converge on a high ε(0).