Hi,
Is it possible in TMOLE to define constrained dihedrals along with tolerances? I tried to add $constraints keyword in %add_control_commands like this:
%add_control_commands
$constraints
11 15 17 20 0.0
ADD END
but turbomole seemed to ignore it. I know I could input the coordinates as internal coordinates and fix the appropriate dihedral angles, but I don't want them to be fixed, only to keep them within certain ranges.