[gmx-users] segmentation fault when using g_hbond
Una Bjarnadottir
una.bjarnadottir at ucd.ie
Wed Aug 2 14:50:36 CEST 2006
Dear users,
I want to use the -sel option in g_hbond and selected three hydrogen
bonds to analyse. I choose the atom number according to the .gro file
used to make the index file which had the
[ selected atoms]
20 21 24
25 26 29
34 35 37
as it says in the manual: Donor Hydrogen Acceptor: When running the
g_hbond with the -sel option and chose my group it always comes
segmentation fault but it ran when I didn't use the -sel option and
calculated the number of hydrogen bonds as a function of time.
Is this a bug or is it something wrong with how I made the .ndx file?
Best regards, Una Bjarnadottir
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