Due to high memory costs associated with clustering, the clusters were first created using 1/130 th and 1/8 th of the frames for unbiased MD and msesMD respectively. The remaining frames were then assigned to the generated clusters. For msesMD, cluster densities were then reweighted according to the swarm contributions of the configurations in each cluster. For the umbrella sampling simulations, an implementation of the weighted histogram analysis method (WHAM) by the Grossfield Lab was used to recover a one-dimensional PMF from the biased windows.