# number of molecules nmols = 151 # number of molecule types ntype = 3 # is there a surface? (0 = no surface, 1 = surface) surf = 1 # Molecular weight [Da] mw = 12331.8, 10903.0, 0.0 # Density [g/L] dens = 15.0, 30.0, 0.00 # PDB file to read in pdbfiles = barnase_noh.pdb, barstar_noh.pdb, surf.pdb # Set seed (integer) # 0 Processor reinitializes the seed randomly from the date and time # N (integer) specify the seed seed = 123 # Option to set how conservative genbox is in avoiding overlaps fit_factor = 1.0 # Number of times genbox will attempt to place each solute in box max_iter = 5000 ### Next options in case you have a surface ### # Size of the surface [A] # Put here the x,y,z dimension of the surface (e.g. 200. , 200. , 1.) surfdim = 350. , 350. , 1. # coordinates of the first atom of the surface surfbeg = 0. , 0. , 0.