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

units		real

atom_style	charge
read_data	out2-vmd.data

pair_style      hybrid reax/c NULL
pair_coeff	* * ffield.reax.cho C C C C C C H H H H H H H & 
H H H H H H  H O O O O O O
pair_coeff	* * ffield.reax.ZnOH O Zn


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

dump            1 all xyz 10 file2.xyz
#dump_modify     1 element C C C C C C H H H H H H H H H H H H O O O O O O

fix             2 all qeq/reax 1 0.0 10.0 1e-6 reax/c
minimize        1.0e-10 1.0e-10 10000 10000

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

reset_timestep  0
timestep	0.25
run		3000

print "All done!"