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

[David]

On Sat, 2005-09-24 at 09:43 +0200, David wrote:
> 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.

Forget about the bugzilla entry, it's fixed in CVS now.


> > 
> > 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
> > 
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-- 
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
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