units real atom_style atomic # data file with one atom type read_data data.spce pair_style hybrid/overlay table linear 1200 threebody/table #pair coefficients pair_coeff 1 1 table table_CG_CG.txt VOTCA pair_coeff * * threebody/table spce.3b type 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.spce id type x y z fx fy fz run 1000