[gmx-users] Problem with g_chi options

Anna Stopka anna.stopka at student.kit.edu
Wed Jul 2 14:58:33 CEST 2014


I want do an analysis of my simulation with the tool g_chi.
The problem is, that the optional output options don't work.

I use the following command:

g_chi -s config.gro -f traj.xtc -oh -all

and all I get are the standard output files chi.log and order.xvg.
I am not sure if it has something to do with the following warning I get:

WARNING: not all dihedrals found in topology (only 1056 out of 1746)!

Honestly, I don't understand why I get this warning, because all the 
input files are fine.

Thanks for your help!
Best regards,

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