# header_file, config_file (input files for configuration) chromo_col_13.head sim.trajec # mass_file, pot_file (Force Field files) mass.ff pot.ff # n_species_chk (used only to read the exclusion array below) 2 # excl_switch (i = 0, n_species_chk - 1) (if = -1, all intra. int. excluded) -1 -1 # n_cycles (MC cycles) 10000 # n_block, n_trajec 100 100 # seed (random generator) 123456 #delta n_msd first_msd water_diffusion 1 10 1 0