# Created by charmm2lammps v1.9.1 on Wed Oct  5 18:08:55 EDT 2016
# Command: charmm2lammps.pl -water -ions -border=2.0 all36_prot 1gb1

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 12
pair_modify     mix arithmetic
kspace_style    pppm 1e-6

read_data       1gb1.data

special_bonds   charmm
thermo          10
thermo_style    multi
timestep        1.0

minimize 0.0 0.0 50 200

reset_timestep  0
fix             1 all nve
fix             2 all shake 1e-6 500 0 m 1.0 a 112
velocity        all create 0.0 12345678 dist uniform

restart         500 1gb1.restart1 1gb1.restart2
dump            1 all atom 100 1gb1.dump
dump_modify     1 image yes scale yes

thermo          100
run             1000