[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 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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