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Selected examples show the evolution of BLA (bond-length alternation), C11-C12 and charge on C12---N fragment during the simulation in the three rhodopsins, (ΔC11-C12 represents the deviation of C11-C12 form 1.45Å), gray-shaded areas denote the time span in which the WF changes from CT to covalent after a hopping event, vertical dashed and solid arrows show the hopping and decision times, respectively.
