Figure 2.

One-dimensional free energy profile along the activation pathways from iterations 0, 5, 10, 15, 20, 25, 50, 55, 61 and 66, showing the path is gradually being relaxed.

One-dimensional free energy profile along the activation pathways from iterations 0, 5, 10, 15, 20, 25, 50, 55, 61 and 66, showing the path is gradually being relaxed.