Table 1 The frequencies of transition pathways of alanine dipeptide from C7eq to C7ax observed from 500 μs Langevin dynamics simulations.
From: Finding multiple reaction pathways via global optimization of action
Path ID | Frequency |
|---|---|
Path1 | 1,183 |
Path2 | 116 |
Path3 | 25 |
Path4 | 7 |
Path5 | 4 |
Path6 | 4 |
Path7 | 10 |
Path8 | 1 |
