[AMBER] distance and angle cutoff values for hydrogen bond analysis

From: atila petrosian <atila.petrosian.gmail.com>
Date: Thu, 6 Jan 2011 11:00:14 +0330

Dear amber users

I want to know about hydrogen bond analysis by ptraj:

1) default values of distance and angle cutoff for HB in which there is not
water molecule. for example HB between prptein-ligand.

2) default values of distance and angle cutoff for HB in which
there is water molecule. for example HB between protein-water.

 any help will highly appreciated.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jan 06 2011 - 00:00:02 PST