# Created by charmm2lammps v1.6.2 on Fri Jun  3 14:07:02 MDT 2005

units           real
neigh_modify    delay 2 every 1

atom_style      full
bond_style      harmonic
angle_style     charmm
dihedral_style  charmm
improper_style  harmonic

pair_style      lj/charmm/coul/long 8 10
pair_modify     mix arithmetic
kspace_style    pppm 1e-4

read_data       1ac7.data

special_bonds   charmm
fix             1 all nve
fix             2 all shake 1e-6 500 0 m 1.0 a 93
velocity        all create 0.0 12345678 dist uniform

thermo          1
thermo_style    multi
timestep        0.5

restart         10 1ac7.restart1 1ac7.restart2
dump            1 all atom 10 1ac7.dump
dump_modify     1 image yes scale yes

run             20
