# water_nvt

units          real
atom_style     full
boundary       p p p

pair_style     lj/charmm/coul/charmm 8.0 12.0 8.0 12.0
pair_modify    mix arithmetic
dielectric     1.0
special_bonds  lj 0.000000 0.000000 1.000000 coul 0.000000 0.000000 0.000000
bond_style     harmonic
angle_style    harmonic

read_data      water_nvt.data

group          mobile union all
timestep       1
fix            1 mobile nvt temp 298.15 298.15 10.0
velocity       mobile create 298.15 1473929448 mom yes rot yes dist gaussian
dump           1 all atom 10 water_nvt.dump
dump_modify    1 scale no image yes
dump           2 all custom 10 water_nvt.veldump vx vy vz
thermo_style   custom etotal ke pe ebond eangle edihed eimp evdwl ecoul elong temp press
thermo_modify  line multi
thermo         10
thermo_modify  flush yes
restart        10 water_nvt1.rst water_nvt2.rst
run            10000
write_restart  water_nvt.rst