Molecular dynamics topologies (.prmtop), initial coordinates (.inpcrd), and trajectories (.nc) associated with the preprint: https://doi.org/10.1101/2023.07.23.550226. Tarballs are included for each of the six systems, named by the PDB ID for the starting structure and state (ligand/apo). The four replicates of 155ns are included in each tarball in AMBER's netcdf format (.nc). All trajectories have been stripped of solvent and ions and are autoimaged. Input files and an example script for running simulations in AMBER20 are provided (infiles.tar.gz) as well as the topologies and coordinates for the solvated systems (solvated_topologies.tar.gz).