1. The following parameters are chosen a priori for the WE simulation: CVs, simulation time τ for walkers, partitioning of macrostates (small volume elements of the configuration space), and target number of walkers per macrostate n w . If there is only one initial state, then there will be n w walkers, each with a weight of 1/n w . Otherwise, there will be multiple n w walkers, each with an appropriate weight that sums up to 1 for the entire system.