Like, can you get the bonus headshot damage on a melee attack? It doesn't feel like it for me, and when I tried punching my companion aiming at the face and at the torso did the same damage. I know you can cripple limbs and stuff by aiming at them, but is the damage bonus there?
I don't know if it's changed for New Vegas, but the way it was supposed to work in FO3 was that the higher skill you had in Unarmed or Melee, the better chance you had to hit them in the head in VATS and thus do more damage. I don't know how this is supposed to effect free-aiming, though.