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. 2018 Jun 25;149(7):072325. doi: 10.1063/1.5027078

FIG. 1.

FIG. 1.

F(m, σ2) = N′, where N′ is the number of trial moves that maximizes NPN,accept. m and σ2 are expressed in kBT and (kBT)2, respectively. In this plot, N′ ranges from 1 to 12. For smaller values of m and larger values of σ2, we can improve the sampling with multiple simultaneous trial moves. The dark blue region is where a single trial move is the most efficient choice.