diff --git a/ensemble_md/utils/coordinate_swap.py b/ensemble_md/utils/coordinate_swap.py index 58d47bf..0f0306d 100644 --- a/ensemble_md/utils/coordinate_swap.py +++ b/ensemble_md/utils/coordinate_swap.py @@ -1091,7 +1091,7 @@ def write_new_file(df_atom_swap, swap, r_swap, line_start, orig_file, new_file, # Iterate atom number to keep track of file progress atom_num_B += 1 - #Account for the fact that the max atom number is 99999 + # Account for the fact that the max atom number is 99999 if atom_num_B == 100000: atom_num_B = 0