units            real
atom_style       full

bond_style       harmonic
angle_style      harmonic
pair_style       lj/cut/coul/long 12.0
kspace_style     pppm 0.0001
pair_modify      shift yes mix arithmetic
special_bonds    lj/coul 0.0 0.0 0
neighbor         2.0 bin
neigh_modify     delay 0 one 4000 check yes
boundary         p p p

#read_data        00.data.lammps
read_restart     X.restart/X.restart.1500000

timestep         1

#min_style        cg
#min_modify       dmax 1.0
#minimize         0.01 0.001 1000 1000000

thermo_style    custom step temp etotal press 

thermo           100

fix              rigidwater water shake 0.0001  20 0 b 1 a 1

#NVT
#fix              3 all nvt temp 300.0 300.0 100.0
#run              500000
#unfix            3

#NVE
fix               4  all nve
run               10000000
unfix             4