README file for the work Rodrigo Galindo-Murillo, Thomas E Cheatham, III, Ethidium bromide interactions with DNA: an exploration of a classic DNA–ligand complex with unbiased molecular dynamics simulations, Nucleic Acids Research, 2021;, gkab143, https://doi.org/10.1093/nar/gkab143 -------------------------------------------------------------------- DDD files: trajectory files of ethidium with the Drew-Dickerson dodeckamer AMBER topology file: nowater.topo Three independent replicas: ddd01-nowater.nc ddd02-nowater.nc ddd03-nowater.nc -------------------------------------------------------------------- GAAC files: trajectory files of ethidium with the sequence: d(GCACGAACGAACGAACGC) AMBER topology file: nowater.topo Twenty independent replicas with the name: gaacXX-nowater.nc At the top level are trajectories processed via CPPTRAJ to remove solvent, autoimaged and RMS fitted. CPPTRAJ is part of AmberTools and is available at http://www.ambermd.org.