MD input files from the paper "Principal molecular axis and transition dipole moment orientations in liquid crystal systems: an assessment based on studies of guest anthraquinone dyes in a nematic host"

The MD input files provided relate to the paper "Principal molecular axis and transition dipole moment orientations in liquid crystal systems: an assessment based on studies of guest anthraquinone dyes in a nematic host" by Mark T. Sims, Laurence C. Abbott, Stephen J. Cowling, John W. Goodby and John N. Moore*, published in PCCP. Additional funding via EPSRC DTA Studentship project, EP/J500598/1.

These md input files were embargoed during the period of EPSRC grant EP/M020584/1, which built on work reported in this paper, in case intellectual property arose from the data.