in.ch4.nve
View Options

			variable sname index ch4
			log ${sname}.nve.log

			units electron
			newton on
			boundary f f f

			atom_style hybrid charge electron

			read_data data.${sname}

			pair_style eff/cut 100.0
			pair_coeff * *

			communicate single vel yes

			thermo 1000
			thermo_style custom step pe temp press

			#velocity all create 300.0 4928459 dist gaussian rot yes mom yes

			timestep 0.005
			fix 1 all nve/eff

			# the custom dump includes the radii
			dump 1 all custom 1000 ${sname}.nve.lammpstrj id type x y z radius
			dump 2 all xyz 1000 ${sname}.nve.xyz

			run 100000

lammps/examples/USER/eff/CH4/in.ch4.nve7c200a5fde06lammps-icms