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. Author manuscript; available in PMC: 2016 Apr 14.
Published in final edited form as: J Chem Theory Comput. 2015 Mar 4;11(4):1907–1918. doi: 10.1021/ct501134s

Figure 6.

Figure 6

Efficiency of the WE method as a function of observed current. Efficiency is defined as the ratio of the total aggregate simulation time required to reach and maintain an error ≤1, T1, to the MFPT of the system at a particular current. The error is defined in Eq. 7. Points represent all of the WE simulations for both Na+ and Cl− at the two ion concentrations. The dashed line at T1/MFPT = 1 corresponds to the ratio expected from a conventional brute force simulations over the same range of currents.