new_contents: import yaml
  import copy
  
  vacuum_switching_lengths = [0, 100, 500, 1000, 5000, 10000]
  solvent_switching_lengths = [500, 1000, 5000, 10000, 20000, 50000]
  
  use_sterics = [True, False]
  geometry_divisions = [90, 180, 360, 720]
  
  # Load in template yaml:
  with open("rj_hydration.yaml", "r") as templatefile:
      template_yaml = yaml.load(templatefile)
  
  
  # Set up vacuum simulations:
  for phase in ['vacuum', 'explicit']:
      if phase == "vacuum":
          switching_lengths = vacuum_switching_lengths
      else:
          switching_lengths = solvent_switching_lengths
  
      for switching_length in switching_lengths:
          for sterics in use_sterics:
              for geometry_division in geometry_divisions:
                  yaml_dict = copy.deepcopy(template_yaml)
                  specification_file_prefix = "{}_{}ncmc_{}sterics_{}geometry".format(phase, switching_length, sterics, geometry_division)
                  specification_filename = specification_file_prefix + ".yaml"
                  yaml_dict['geometry_divisions'][phase] = geometry_division
                  yaml_dict['use_sterics']['vacuum'] = sterics
                  yaml_dict['ncmc_switching_times'][phase] = switching_length
                  yaml_dict['phase'] = phase
                  yaml_dict['output_filename'] = specification_file_prefix + ".nc"
  
                  with open(specification_filename, 'w') as yam_outfile:
                      yaml.dump(yaml_dict, yam_outfile)
  
subject: Add script to generate the yaml files for experiments