VMD-L Mailing List

From: George Tzotzos (gtzotzos_at_me.com)
Date: Tue Dec 20 2011 - 13:46:38 CST

I'm dealing with a 2ns AMBER receptor/ligand complex. I've loaded the trajectory and created a 2nd representation in which the water molecules are not included. I used the Hbond plugin and had:

Selection 1: protein
Selection 2: resname IND whereby IND is the name of the ligand.

The MultiPlot output shows numerous Hbonds.

My question is whether it is possible to print the residues with which the ligand forms Hbonds.

I appreciate that this may be a trivial issue but I'm far from calling myself a seasoned VMD user. Your help will be greatly appreciated

George