VMD-L Mailing List

From: ban arn (ban.arn_at_gmail.com)
Date: Tue Sep 28 2010 - 04:19:30 CDT

Dear VMD users,

I would like to analyse the water-mediated hydrogen bond network between
protein and ligand in my trajectory.

Is there any possibility to include "protein and ligand" in one selection
and water in other selection, instead of using "protein or ligand" in first
selection.

Because using "or" in selection, selects first protein and checks for
hydrogen bonds and selects ligand after protein and prints all hydrogen
bonds.

Is there any possibility to analyse and print results as
protein-water-ligand interaction for each frame.

Kindly advice.

Many Thanks
Balaji