units           real
atom_style      full
bond_style      harmonic
angle_style     harmonic
dihedral_style  harmonic
improper_style  umbrella
special_bonds   dreiding

# Coefficients in non-bonding are just as an example
pair_style      lj/cut 15.0
#kspace_style    ewald 0.0001
#kspace_modify gewald 1.0

#dielectric      1.0

read_data       output.data extra/special/per/atom 10 extra/bond/per/atom 10 extra/angle/per/atom 10 extra/dihedral/per/atom 10 extra/improper/per/atom 10
#replicate 2 2 2

molecule	   pre prepy2.mol
molecule           post postpy2.mol

thermo 		   500
#minimize 	   0.0 0.0 10000 100000
velocity       all create 300 1666343046 mom yes rot yes dist gaussian

#Basic Molecular Dynamics Run
timestep       1.0
dump 1 all atom 500 dump.lammpstrj
thermo_style custom step temp density
fix            1 all npt temp 300 300 100.0 iso 1.0 1.0 1000.0

run 200000
unfix 1

fix		fxrct all bond/react stabilization yes statted_grp .03 react rxn1 all 1 0.0 10.0 pre post automap.data stabilize_steps 100


fix 		1 statted_grp_REACT nvt temp 400.0 400.0 100
fix 		4 bond_react_MASTER_group temp/rescale 1 400.0 400.0 10 1

thermo_style custom step temp density f_fxrct[*]
thermo         100
run            400000

write_data     output*.data