MD input files from the paper: Guest-host systems containing anthraquinone dyes with multiple visible transitions giving positive and negative dichroic order parameters: an assessment of principal molecular axes and computational methods

The MD input files provided here relate to the paper "Guest-host systems containing anthraquinone dyes with multiple visible transitions giving positive and negative dichroic order parameters: an assessment of principal molecular axes and computational methods" by Mark T. Sims, Richard J. Mandle, John W. Goodby and John N. Moore, published in Liquid Crystals. 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.