[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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