simulation_name just_pe ! output file will have this name tabulate_long_range 10000 !long ranged interaction energy_update_freq 1 nbrhood_cutoff 4.5 hbond_cutoff 6.0 bond_graph_cutoff 0.3 thb_cutoff 0.001 write_freq 100 traj_title polye atom_info 1 ! 0: no atom info, 1: print basic atom info in the trajectory file atom_forces 1 ! 0: basic atom format, 1: print force on each atom in the trajectory file atom_velocities 0 ! 0: basic atom format, 1: print the velocity of each atom in the trajectory file bond_info 1 ! 0: do not print bonds, 1: print bonds in the trajectory file angle_info 1 ! 0: do not print angles, 1: print angles in the trajectory file