Detailed kinetics of 30 ns MD simulations.

<p>a) Average energy profile at 280 K (5 sets of data were used). The average curve is shown in black while the standard deviation is shown in red. The green dot represents the point around which the profiles were centered before computing the statistics over a 10 ns window (5 ns before and 5 ns after); b) Average energy profile at 300 K (5 sets of data were used).