Fig. 2. Time-averaged distributions of distances (Å) and dihedral angles (degree) of the GFP PT network obtained from the S0 AIMD simulation. Top left column: oxygen–oxygen distances; top middle column: hydrogen–acceptor oxygen distances; top right column: hydrogen–donor oxygen distances; bottom column: chromophore N–C–C–C and hydrogen bond network Otyr–Owat–Oser205–Oglu222 dihedral angles. Average values, shown by coloured curves, are calculated every 100 points for the Otyr–Owat–Oser205–Oglu222 dihedral angle, and every 50 points in all other cases.
