units		electron
atom_style	full

#pair_style	lj/cut/coul/long 17.01
pair_style      lj/cut/tip4p/long 1 2 1 1 0.278072379 17.007
#bond_style      harmonic
bond_style      class2 
angle_style     harmonic
#kspace_style	pppm 0.0001
kspace_style	pppm/tip4p 0.0001

read_data	data.lmp
pair_coeff  * * 0 0
pair_coeff  1  1  0.000295147 5.96946

neighbor	2.0 bin

timestep	0.5

velocity all create 300.0 2345187

#thermo_style	multi
#thermo		1

fix 1 all mxl PORT_NUMBER 32435 unix reset_dipole
fix 2 all nve
# fix 3 all langevin 300.0 300.0 1000.0 2345187


#dump		1 all xyz 25 dump.xyz

run		100000000

