Fig. 4: Characteristics of photoreaction of the MTDP motor 1.

Panel a shows the time evolution of the excited-state population n for the half-loop EP → ZP. The red curve is fitted to the computed populations (the blue dots) by a monoexponential function \({n}_{{{{{{{{\rm{fit}}}}}}}}}(t)={e}^{-({t}_{0}-t)/\tau }\), where t₀ is the latency time and τ is the exponential decay constant. The excited-state lifetime \({t}_{{{{\mbox{S}}}}_{1}}\) is shown in the inset. The margin of error of the fitted quantities was obtained by bootstrapping with 10⁴ replicas⁴⁰. Panel b shows the time evolution of the central dihedral angle θ. The blue curves show the productive trajectories (i.e., undergoing EP → ZP isomerisation), the black curves show the unproductive trajectories (i.e., turning back, EP → EP), the grey curves show the trajectories rotating in the wrong direction (i.e., CW, instead of CCW). The red crosses show the S₁ → S₀ nonadiabatic transitions. The red dots show the terminal points of the trajectories, where the final value of the angle θ was reached. Horizontal blue lines show the division between the EP/EM and ZP/ZM rotamers. Panels c) and d) show the same characteristics of the ZP → EP half-loop.