Figure 3.
Stratification strategies for the translationally invariant toy model of a tagged water molecule diffusing in a bulk aqueous medium. The transition path spans 20 Å and is handled in a single window (A), in two 10 Å windows (B), in four 5 Å windows (C), and in eight 2.5 Å windows (D). For each stratification strategy, a potential of mean force calculation is carried out until the root-mean-square deviation with respect to the accurate zero free-energy profile is less than 0.1 kcal/mol.