Source Data for the publication: "How Orange Carotenoid Protein controls the excited state dynamics of Canthaxanthin"

This dataset contains the raw data for the results shown in the paper, in plain text format. The first line of each file describes the content of the columns.

Contents:

ocp_adiabatic_energies.txt - Energies of the adiabatic states (A.U.) for all SH trajectories of CAN in OCP

ocp_bla.txt - Values of the BLA coordinate (Angstrom) for all SH trajectories of CAN in OCP

ocp_dihedrals.txt - Values of the CAN dihedrals ) degrees for all SH trajectories of CAN in OCP

ocp_populations.txt - Calculated adiabatic populations of CAN in OCP

vac_adiabatic_energies.txt - Energies of the adiabatic states (A.U.) for all SH trajectories of CAN in gas phase

vac_bla.txt - Values of the BLA coordinate (Angstrom) for all SH trajectories of CAN in gas phase

vac_dihedrals.txt - Values of the CAN dihedrals ) degrees for all SH trajectories of CAN in gas phase

vac_populations.txt - Calculated adiabatic populations of CAN in gas phase