Paper Citing NAMD - Abstract
Olbrich, Carsten; Liebers, Joerg; Kleinekathoefer, Ulrich
Modeling of light-harvesting in purple bacteria using a time-dependent Hamiltonian approach
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 248:393-398, FEB 2011
The photosynthetic light-harvesting system II (LH2) of bacteriochlorophylls' embedded in the LH2 complex. Further Rhodospirillum molischianum is investigated using a time more the couplings between the bacteriochlorophylls are dependent combination of molecular dynamics simulations and computed using the method of transition changes from electro-semiempirical ZINDO/S electronic on the available crystal approximation. With these quantities the excitonic energies of structure of the LH2 complex, Snapshots of the atomic the complete system as well as the linear absorption spectra area fluctuations along this 12 ps long trajectory serve as input for calculated and compared to experimental findings the calculations of the excitation energies of the individual (C) 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
