Pi-pi interactions

[mariagiovannaeva]

Dear all,

I am using ProLIF to quantify the pi-pi interactions during my MD simulations between the aromatic rings of my ligand and the aromatic residues of the binding pocket of my receptor. However, ProLIF does not detect any interactions, other than vdWs, even though the angles and distances are within the pre-established cutoffs for pi-pi (e.g., 5.5 Å and 80 degrees).
Is there any way I can tackle the issue?

Thank you very much in advance,
Giovanna