VMD-L Mailing List

From: pl (ladam_at_smbh.univ-paris13.fr)
Date: Wed Nov 03 2004 - 10:04:29 CST

Hi all,

I try to write a script that would show H-bonded water molecules to a
solute during a trajectory while water molecules not H-bonded to the
solute (DNA) would be hidden.
So, at some point I need to test if the selected water is effectively H-
bonded with my DNA but can't figure out how to do this. Would dynamic-
bonds be of some help, is there a True/False flag to H-Bonds for atoms
somewhere?
Thank you 

-- 
------------------------------------------------------------------
| Patrick LADAM                   |                               |
| Laboratoire CSSB                |     THE BIG BANG THEORY:      |
| UFR SMBH                        |                               |
| 74 rue Marcel Cachin            |   In the begining there was   |
| 93017 Bobigny CEDEX             |        nothing at all.        |
| >>> NEW e-mail: <<<             |                               |
| ladam_at_smbh.smbh.univ-paris13.fr |      Then, it exploded...     |
| Tel: 01 48 38 77 26 / 76 85     |                               |
| Fax: 01 48 38 77 77             |                               |
------------------------------------------------------------------