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Backbone rmsd for globular proteins in water. GB3 and lysozyme (56 and 129 residues, respectively) were simulated with ff14ipq in baths of TIP4P-Ew water for 1 μs. Multiple simulations of GB3 are shown, each performed with a different generation of the ff14ipq torsion parameters. See Figure 3 for the accuracy of each generation in predicting energetics of lysine dipeptide.
