units real atom_style atomic # data file with two atom types read_data data.spce2 pair_style hybrid/overlay table linear 1200 threebody/table #pair coefficients pair_coeff * * table table_CG_CG.txt VOTCA pair_coeff * * threebody/table spce2.3b type1 type2 fix 1 all nvt temp 300.0 300.0 200.0 velocity all create 300 432567 dist uniform loop geom mom yes timestep 2.0 thermo 100 #dump 2 all custom 100 dump.spce2 id type x y z fx fy fz run 1000