# REAX potential for VOH system
# .....

units		real

atom_style	charge
read_data	data.VOH

pair_style	reax/c lmp_control
pair_coeff	* * ffield.reax.V_O_C_H H C O V

neighbor	2 bin
neigh_modify	every 10 delay 0 check no

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.voh

run		3000
