log  peo.log
units  real
timestep  1
dimension  3
atom_style  full
boundary  p p p
neighbor  10.0 bin
bond_style  harmonic
angle_style  harmonic
dihedral_style  opls
read_data  npt.data
pair_style  buck/coul/cut 15.0
pair_coeff 1 1 2649.6 0.2674 27.22
pair_coeff 1 2 4320.0 0.2928 137.6
pair_coeff 1 3 14176.0 0.2563 104.0
pair_coeff 2 2 14976.0 0.3236 637.6
pair_coeff 2 3 33702.4 0.2796 503.0
pair_coeff 3 3 75844.8 0.2461 396.9
dump peodump all custom 50 peo.dump id type x y z ix iy iz mol
dump traj all dcd 50 peo.dcd
thermo_style  custom step time temp press pe ke etotal enthalpy fmax fnorm
thermo  100
fix  NPT all npt temp 300 300 100.0 iso 0 0 100.0
run  1000
