# Coarse-Grained SPC/E Water variable T equal 300.0 variable rc equal 9.0 variable rcD equal 10.0 units real boundary p p p atom_style atomic dimension 3 newton on comm_modify vel yes read_data cg_spce.data pair_style hybrid/overlay table spline 1000 dpd/tstat ${T} ${T} ${rc} 385262 pair_coeff 1 1 table cg_spce_table.pot VOTCA ${rc} pair_coeff 1 1 dpd/tstat 10.0 ${rcD} timestep 1.0 run_style verlet velocity all create ${T} 68768932 thermo_style custom step time temp press thermo 100 fix 1 all nve run 1000