[gmx-users] segmentation fault message with g_hbond

David spoel at xray.bmc.uu.se
Sun Apr 3 19:34:01 CEST 2005


On Tue, 2005-01-11 at 16:56 -0500, Lei Zhou wrote:
> Dear GMX users,
> 
> I have been trying to use g_hbond to analyze the existence of 
> hbonds at each frame (-hbm). But I always get a error message of 
> segmentation fault and could not get the xpm file output. Is the 
> selection index input file (-sel) essential for the output of xpm file?
> I could get the normal xvg output (-num) with -nomerge flag setup.
> 
> Here is the script I used and the screen print out:
> 
> g_hbond -nomerge -f md.trr -n md.ndx -s md.tpr -g test.log -hbn 
> test.ndx -hbm test.hbm

I have just committed an updated version to the CVS. It may help.

-- 
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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