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. 2014 Mar 3;10(7):2658–2667. doi: 10.1021/ct401065r

Figure 5.

Figure 5

Direct WE estimates for populations and mean first passage times for Ala4 states A2,B2 from Figure 3. Five independent WE runs are shown, each based on 3.0 μs of total simulation time. Dashed lines indicate roughly a 95% confidence interval based on 3.0 μs of brute force simulation. Each nanosecond of molecular time corresponds to approximately 200 ns of WE simulation accounting for all trajectories in a single run.