BOMD with DFTB recovers low-frequency intramolecular modes in bacteriochlorophyll spectral densities for LH2 and FMO complexes better than normal mode analysis, and shows no significant protein influence on B850 energy gaps.
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Excitation of Low-Frequency Modes and the Effects of Protein Dynamics on Spectral Densities of Bacteriochlorophyll Molecules
BOMD with DFTB recovers low-frequency intramolecular modes in bacteriochlorophyll spectral densities for LH2 and FMO complexes better than normal mode analysis, and shows no significant protein influence on B850 energy gaps.