# ----------------- Init Section -----------------

include         "system.in.init"

read_data       "min.data"

include         "system.in.settings"

# ----------------- Run Section -----------------
#
group           water type 31 64
fix             1 water shake 0.0001 20 0 b 1 a 1
timestep        1
#
fix             2 all nvt temp 300.0 300.0 100.0
dump            2 all custom 1 nvt_small_ts.lammpstrj id mol type x y z vx vy vz
dump_modify     2 sort id

thermo_style    multi
thermo          1

restart         1 restart1_polymer_1_nvt_2 restart2_polymer_1_nvt_2
#
run             2
#
write_data      nvt_small_ts.data
write_restart   nvt_small_ts.restart