[gmx-users] g_hydorder error

Nidhi Katyal nidhikatyal1989 at gmail.com
Mon Aug 26 14:27:20 CEST 2013

Dear all,

I am using following command in gromacs version 4.5.5:
g_hydorder -f *.xtc -s *.tpr -n *.ndx -o file1.xpm file2.xpm
But getting following error:
Internal error in pbc_dx, set_pbc has not been called

In my mdp file, I have set pbc to xyz

I have searched the archive and found that similar issue was raised earlier
in the past and was filed as a bug. I have seen bugzilla and found the
status to be closed.

Please help me resolve the problem. Any help is appreciated

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