# REAX potential for ZnOH2 system
# .....

units		real

atom_style	full
read_data	zno-solv-lammps.data

pair_style	reax/c lmp_control
pair_coeff	* * ffield.reax.ZnOH Zn O O H H # correct final


neighbor	2 bin
neigh_modify	every 2 delay 10 check yes page 100000

fix		1 all nve
fix             2 all qeq/reax 1 0.0 10.0 1e-6 param.qeq
fix             3 all temp/berendsen 500.0 500.0 100.0

timestep	0.25

#dump		1 all atom 30 dump.reax.znoh
dump 1 all xyz 10 file.xyz
run		3000

print "All done!"