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. Author manuscript; available in PMC: 2017 Feb 5.
Published in final edited form as: J Comput Chem. 2015 Nov 12;37(4):416–425. doi: 10.1002/jcc.24231

Figure 5.

Figure 5

A) Convergence of ∥Di–j∥1 through 1-μs simulations. Values were calculated in 0.1- μs increments. B) RMSD distributions of W158 in β2AR from apo simulations (black) and when bound to CARA (blue), BIA (red), EPNE (orange) and SALB (green) calculated through 0.2, 0.6, 0.8 and 1 μs of the MD simulations.