# The two files "solvent_single.lt" and "wall_single.lt" # define two very simple molecules containing one atom each. # Both atoms have a similar size (the have the same sigma parameter). MoleculeA { # atomID molID atomType charge x y z write("Data Atoms") { $atom:a $mol:. @atom:a 0.0 0.0 0.0 0.0 } write_once("Data Masses") { @atom:a 10.0 } write_once("In Settings") { # i j epsilon sigma cutoff pair_coeff @atom:a @atom:a 0.60 3.0 7.5 #<--attractive group groupA type @atom:a #(Atoms of this type belong to the "A" group) } }