In addition to multiple repeats of the US simulations, we also performed multiple repeats of accelerated weight histogram method (AWH) simulations for systems 1 and 4 (Figure ). For all the AWH simulations, a constant target distribution was used. The estimated initial error was set to 40 kJ/mol and the input diffusion constant was set to 2.0×10 -5 nm 2 /ps. The number of steps between the sampling of the coordinate value, as well as the number of coordinate samples used for each AWH update, were set to 10. For system 1 the interval for the z-distance was set to 2.3-3.2 nm and for system 4 to 0.53-2.3 nm. For the AWH with a single walker (Figure ), the simulations were started from the bound state and were run for 1600 ns (system 1) and 800 ns (system 4) per repeat. In addition, the AWH simulations were repeated using four bias-sharing walkers (Figure ). The starting configurations for the walkers were obtained at regular intervals along the distance from the pulling simulations, and the same starting configurations were used for all repeats. Each walker was sampled for 400 ns (system 1) and 200 ns (system 4).