[CP2K-user] [CP2K:18672] metadynamics torsion collective variable range

[Andy Wang]

Dear CP2K users,

I have a pair of dihedrals in a molecule, and I want to generate 2D 
Ramachandran plot of the free energy for this pair of dihedrals. I tried 
metadynamics and used graph.ssmp to post-process the restart file. I found 
that the range of the two torsions is  from -6.1415 to 6.1415. The unit 
seems to be neither radians nor degrees. Considering the torsion range 
should be -180 to 180 degrees, I am wondering what is the unit of the range 
the graph.ssmp gave me.

Thanks in advance for any help.

Bests,
Andy

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