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. 2014 Jun 12;10(7):2719–2728. doi: 10.1021/ct500504g

Figure 1.

Figure 1

Schematic description of the equidistant window distribution with respect to (A) the sampling range Λ and (B) the thermodynamic length Inline graphic calculated from the PMF in (A) by eq 3. By equipartitioning Λ or Inline graphic (blue arrows), the boundaries for each window can be easily determined (vertical gray dashed lines) and the midpoint can be assigned to the center of each window (red circles). Note that the windows are not equally distributed along ξ in (B).