The main hypothesis we wish to test regarding the meta-dynamics approach is whether it can be used to identify reactions with low barriers. As outlined above the meta-dynamics approach relies on three main hyperparameters, k push , α, and s, that modulate the effect that structural changes have on the course of the trajectory. Increasing k push and decreasing α increases the effect of structural or conformational changes on the trajectory as measured by the RMSD from previous structures. Similarly, increasing s increases the effect the molecular structure has on the size of the spherical boundary potential surrounding the molecule(s) and is most important when the number of molecular fragments changes.