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. 2015 Oct 31;14:16–19. doi: 10.1016/j.csbj.2015.10.003

Fig. 3.

Fig. 3

The potential energy curve (black) and the corresponding vibrational distribution of the ground (red) and the first (green) and second (purple) excited states of (a) a proton and (b) a deuteron in the hydrogen bond between Glu46 and pCA of PYP at the crystal structure. The origin of the coordinate q was set on the crystal bond length (1.21 Å).