diff --git a/playground/amber/coords_io.py b/playground/amber/coords_io.py index c09b902f..d8b11b66 100644 --- a/playground/amber/coords_io.py +++ b/playground/amber/coords_io.py @@ -17,7 +17,7 @@ def write_inpcrd(coords, inpcrd_filename, name=None): # Print OS-specific newline character. inpcrd_file.write(os.linesep) # Print the number of atoms. - inpcrd_file.write('{:> 5d}'.format(len(coords) / 3)) + inpcrd_file.write('{:5d}'.format(len(coords) / 3)) inpcrd_file.write(os.linesep) # Now loop through coords. for index in range(0, len(coords), 6): @@ -36,4 +36,4 @@ def write_inpcrd(coords, inpcrd_filename, name=None): write_inpcrd(coords, 'my_test_file_15', '5_ATOMS') # Test with even number of atoms coords = np.random.random(18) - 0.5 - write_inpcrd(coords, 'my_test_file_18', '6_ATOMS') \ No newline at end of file + write_inpcrd(coords, 'my_test_file_18', '6_ATOMS')