units electron atom_style full #pair_style lj/cut/coul/long 17.01 pair_style lj/cut/tip4p/long 1 2 1 1 0.278072379 17.007 bond_style harmonic #bond_style class2 angle_style harmonic #kspace_style pppm 0.0001 kspace_style pppm/tip4p 0.0001 read_data data.water_longrange pair_coeff * * 0 0 pair_coeff 1 1 0.000295147 5.96946 neighbor 2.0 bin neigh_modify delay 0 every 1 check yes timestep 0.00025 #velocity all create 298.0 2345187 #thermo_style multi #thermo 1 #fix 1 all nvt temp 298.0 298.0 30.0 tchain 1 #fix 1 all nve fix 1 all ipi rpc_long 32347 unix #dump 1 all xyz 25 dump.xyz run 100000000