[AMBER] active site rmsd (residue 5A around bound ligand) ???

From: HM <scienceamber.gmail.com>
Date: Tue, 5 Feb 2013 14:40:45 +0100

Hi All,
I am interested in calculating the rmsd of the active site region i.e. 5 A
around bound ligand. But as the number of those residues changes from
trajectories to trajectories, I am not sure how to tell ptraj or cpptraj to
calculate rmsd for active site region.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Feb 05 2013 - 06:00:02 PST