[gmx-users] g_hbond segmentation fault

Yao Yao yao0o at ymail.com
Wed Sep 29 08:02:13 CEST 2010

Hi Gmxers,
I used the command line, 
g_hbond -f tst.trr -s tst.tpr -ac test -e 500 -dt 1
and I got the message like,
Found 1048 different hydrogen bonds in trajectory
Found 2292 different atom-pairs within hydrogen bonding distance
Merging hbonds with Acceptor and Donor swapped
2/10915 Segmentation fault

Anyone knows what could be the reason for this Segmentation Fault ?
A couple of Q's I am also curious, 
why do we need to swap Acceptors and Acceptors when merging hbonds?
Does gromacs suggest that the number of different hydrogen bonds in trajectoryshould be the same as that of different atom-pairs within hydrogen bonding distance?

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