diff --git a/mosdef_dihedral_fit/utils/math_operations.py b/mosdef_dihedral_fit/utils/math_operations.py index 83730ad..678ce3d 100755 --- a/mosdef_dihedral_fit/utils/math_operations.py +++ b/mosdef_dihedral_fit/utils/math_operations.py @@ -210,7 +210,7 @@ def dihedral_angle( dihedral_angle_degrees = -dihedral_angle_degrees if dihedral_angle_degrees == 180: - dihedral_angle_degrees == -180 + dihedral_angle_degrees = -180 return dihedral_angle_degrees