In Fig. 6(a) of our original article in Ref. 1, we included an erroneous experimental spectrum for the green fluorescent protein (GFP) chromophore anion in water for comparison with our simulated spectra. The corrected Fig. 6 is shown in Fig. 1. This error does not affect any of the results or analysis, and the conclusions of the paper are unaltered.

FIG. 1.

Absorption spectra for the (a) GFP chromophore anion in water and (b) GFP chromophore neutral+ in methanol, as calculated with both the ensemble approach with Gaussian broadening and the E-ZTFC approach, and in comparison with experiment.3,4 The spectrum obtained by Santoro et al.2 for the GFP chromophore anion using a finite-temperature Franck-Condon (FTFC) spectrum broadened by a Gaussian with a standard deviation derived from PCM calculations is also shown. The experimental spectrum for the anion is taken in an aqueous solution of NaOH(aq) with pH = 13. The spectra are computed from vertical excitation energies of 2000 uncorrelated MD snapshots and a broadening of σ = 0.0105 eV is used in both approaches. The bare vertical excitation energies obtained from the MD sampling are shown as vertical lines. Calculated spectra are shifted and scaled to match experimental data.

FIG. 1.

Absorption spectra for the (a) GFP chromophore anion in water and (b) GFP chromophore neutral+ in methanol, as calculated with both the ensemble approach with Gaussian broadening and the E-ZTFC approach, and in comparison with experiment.3,4 The spectrum obtained by Santoro et al.2 for the GFP chromophore anion using a finite-temperature Franck-Condon (FTFC) spectrum broadened by a Gaussian with a standard deviation derived from PCM calculations is also shown. The experimental spectrum for the anion is taken in an aqueous solution of NaOH(aq) with pH = 13. The spectra are computed from vertical excitation energies of 2000 uncorrelated MD snapshots and a broadening of σ = 0.0105 eV is used in both approaches. The bare vertical excitation energies obtained from the MD sampling are shown as vertical lines. Calculated spectra are shifted and scaled to match experimental data.

Close modal

The correction to Fig. 6(a) of the original article required a number of minor corrections to the supplementary material. The first two entries of the first row of Table I were updated and Fig. 17(a) was replaced by a figure including the corrected experimental spectrum for the GFP chromophore anion in water.

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Supplementary Material