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

[David]

On Fri, 2005-09-23 at 17:07 -0400, Moore, Jonathan (J) wrote:
> 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?
I noticed this the other day. Please make a bugzilla entry and I'll fix
it before 3.3 final. Thanks for reporting this.
> 
> Thanks,
> Jonathan
> 
> ____________________________
> 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
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++