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. Author manuscript; available in PMC: 2018 Dec 7.
Published in final edited form as: Living J Comput Mol Sci. 2018 Oct 27;1(1):5067. doi: 10.33011/livecoms.1.1.5067

Figure 5.

Figure 5.

The equilibration and production segments of a trajectory. “Equilibration” over the time tequil represents transient behavior while the initial configuration relaxes toward configurations more representative of the equilibrium ensemble. Readers are encouraged to select tequil in a systematic way based on published literature. If you find strong sensitivity of “production” data to the choice of tequil, this suggests additional sampling is required.