#LAMMPS input file for NVT of LJ

units metal

boundary p p p

atom_style full

pair_style lj/sf 1.1

read_data lammps.dat

neighbor 0.3 bin

neigh_modify delay 0 every 1 check yes

pair_coeff 1 1 0.65 0.34 1.1

timestep 0.005

fix 3 all nvt temp 90.0 90.0 90.0

log logfile.res

thermo 100

thermo_style custom step temp pe etotal press

thermo_modify flush yes

thermo_modify norm yes

dump 1 all xtc 100 traj.xtc

run 5000