# Created by charmm2lammps v1.8.1 on Tue Sep 29 18:23:01 EDT 2009

units           real
dimension       3
neigh_modify    delay 2 every 1

atom_style      full
bond_style      harmonic
angle_style     charmm
dihedral_style  charmm
pair_style      lj/charmm/coul/long 8 10
pair_modify     mix arithmetic
kspace_style    pppm 1e-4

read_data       ethane_25A3_3.data

thermo          1
thermo_style    multi
timestep        0.5

minimize 0.0 1.0e-8 400 1000

special_bonds   charmm
fix             1 all npt 220 220 100.0 xyz 4.8591 4.8591 1000.0
velocity        all create 230.0 12345678 dist uniform

restart         10 ethane.restart1 ethane.restart2
dump            1 all atom 10 ethane.dump
dump_modify     1 image yes scale yes

run             1000000