# -- Init section --

include system.in.init

# -- Atom definition section --

read_data system.data

# -- Settings Section --

include system.in.settings

# Optional: Make sure the pairwise energies look reasonable:
pair_write 1 4 1001 r 0.00000000001 5.05 test_chap-B.dat C-B 0 0
pair_write 2 4 1001 r 0.00000000001 5.05 test_chap-L.dat C-L 0 0
pair_write 3 4 1001 r 0.00000000001 5.05 test_chap-N.dat C-N 0 0


# -- Run section --

dump            1 all custom 50 traj_min.lammpstrj id mol type x y z ix iy iz

minimize 1.0e-5 1.0e-7 500 2000

write_restart  system_after_min.rst
