[gmx-users] problem with g_hbond from 3.3RC2?

Moore, Jonathan (J) JMoore2 at dow.com
Fri Sep 23 23:07:17 CEST 2005

I'm trying to use g_hbond from v. 3.3RC2 with the -num option.  It seems to run fine but does not produce output for any case that I've tried (i.e. the hbnum.xvg file is not written).  g_hbond 3.2.1 works fine except that I have too many atoms to run it without doing it in smaller chunks.  I'm trying to avoid doing that.  Does this sound like a bug or something gone wrong in compilation?


Jonathan Moore, Ph.D.
Research and Engineering Sciences - New Products
Core R&D
The Dow Chemical Company
1702 Building, Office 4E
Midland, MI 48674  USA
Phone:  (989) 636-9765 
Fax: (989) 636-4019
E Mail: jmoore2 at dow.com

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