message: fix check for atom_index
diff: @@ -152,8 +152,8 @@ class LMBTR(MBTR):
  if list_atom_indices is not None:
  list_atom_indices.sort()
  for atom_index in list_atom_indices:
  - if atom_index > len(system):
  - raise ValueError("Atom index: {}, larger than total number of atoms ".format(self.atom_index))
  + if atom_index >= len(system):
  + raise ValueError("Atom index: {}, larger than total number of atoms ".format(atom_index))
  list_atoms += list_atom_indices
  elif list_positions is not None:
  if scaled_positions: #convert positions to cartesian
  