##############################
####  PROGRAM PARAMETERS  ####
##############################
backend = CPU
use_edge = 1
edge_n_forces = 1
max_density_multiplier = 10
# debug = 1
interaction_type = DNANM
salt_concentration = 1.
max_io = 4

##############################
####    SIM PARAMETERS    ####
##############################
### Universal Params ###
T = 300K
verlet_skin = 0.20
sim_type = MD
steps = 10000

### MD PARAMS ###
dt = 0.002
newtonian_steps=51
diff_coeff=1
thermostat=bussi
bussi_tau = 0.5
refresh_vel=1

### MC PARAMS ###
delta_translation = 0.01
delta_rotation = 0.25
check_energy_every = 10
check_energy_threshold = 1.e-4
ensemble = NVT

##############################
####     INTERACTIONS     ####
##############################


##############################
####    INPUT / OUTPUT    ####
##############################
parfile = hcage.par
topology = hcage.top
conf_file = mclast.dat
trajectory_file = trajectory_cpu.dat
log_file = log.dat
no_stdout_energy = 0
restart_step_counter = 1
energy_file = energy.dat
print_conf_interval = 1000
print_energy_every = 1000
time_scale = linear
# external_forces=1
# external_forces_file = trap.txt



# oxDNA observables
data_output_1 = {
  name = split_energy.dat
  print_every = 1000
  col_1 = {
          type = step
          units = MD
  }
  col_2 = {
          type = potential_energy
          # type = pair_energy
          split = true
  }
}