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. 2020 Sep 18;153(11):114116. doi: 10.1063/5.0019560

FIG. 3.

FIG. 3.

Total energy vs the simulation time for the 512-water box simulation. Here, both simulations were performed with a 1 × 10−6 induction iteration tolerance, but with different PME accuracies, low for 5 × 10−4 and high for 5 × 10−5.