Then it’s much simpler to use a harmonic potential, bond type 6. This will also work with intermolecular interactions.
Hess hi,
is this correct:
; restraints for angles
[ intermolecular_interactions ]
[ angle_restraints ]
;i j k l type theta fc multiplicity
1608 1610 4651 4645 1 180.0 2000 1
is this correct format; i want to restrain 1610 4651 4645 at 180 degrees.
That looks ok. But you only mention three atoms in the last sentence.