This folder contains the parameter file and MD trajectories for the L1:ertapenem complex (hydrolysed product) in the enamine form with a deprotonated C6 carboxylate group The parameter file in AMBER format: - L1_erta_coo_en.parm7 The three repeat MD trajectories: - L1_erta_coo_en_r1.dcd - L1_erta_coo_en_r2.dcd - L1_erta_coo_en_r3.dcd