We performed 100 50-ps meta-dynamics simulations for each of 27 different combinations of k push , α, and s and identify the product of the first reaction (if any) that occurs in each trajectory. Table shows the results for a subset of the 27 combinations, while the results for all 27 combinations can be found in SI (Table ). For k push =0.05, α=0.3, and s=0.8, all 100 trajectories resulted in a reaction, and in one case two reactions occurred leading to a total of 101 products (N total ). Ten of the trajectories lead to Reaction 1, while eight and eight of the trajectories lead to Reactions 2 and 3, respectively. N 99 is the minimum number of trajectories needed to find at least one example of each reaction with 99% certainty and is the smallest N for which 0.99