This folder contains the coordinate and parameter files used to run molecular dynamics simulations of the toxin Txd13 (sequence GCCSNPPCIANPMC) in complex with four nicotinic acetylcholine receptor (nAChR) subtypes: a3b2, a3b4, a6b2 and a6b4 nAChRs. For each system several files are provided: 1) an homology model that was used as a starting conformation is provided (eg 'a3b2_txd13.B99990023.pdb'), 2) an Amber Parm7 topology file (eg 'a3b2_txd13_0023.prmtop'), 3) a trajectory files containig 1250 frames extracted from a 100 ns molecular dynamics simulation (eg 'a3b2_txd13_0023_md_smaller.nc') created using pmemd from the Amber 18 package, 4) the log file of this simulations (eg 'a3b2_txd13_0023_md.log'), and 5) the coordinate file representing the minimized verion of the centroid frame of each simulation (with water and ions removed for conveniance) (eg 'a3b2_txd13_0023_md_centroid_min_nowat.pdb') The parameters used for the molecular dynamics simulations are provided in the 'md.in' file. All the text files have been compressed in the 'xz' format