Table 2. Excited state lifetimes and final conformations from the MD simulations initiated in the neutral cis chromophore conformation.
Starting in Ncis | ||
Run | S1 lifetime (ps) | Final conformation |
a | 0.374 | trans |
b | 3.561 | cis |
c* | 1.573 | trans |
d* | 0.867 | cis |
e* | 1.206 | trans |
*: In runs c, d, and e, the escape from the S1 minimum was accelerated by conformational flooding.