[CP2K-user] [CP2K:20507] Plotting periodic free energy surface for torsion angle from metadynamics

[Olaseni Sode]

Hi,

I'm working on a metadynamics simulation looking at the free energy surface 
of a torsion angle. My issue is how do I ensure that the fes.dat that is 
printed when I run the graph.psmp command is periodic. Currently, when I 
run the metadynamics simulation for the torsion variable, and then plot the 
fes, the data isn't periodic at 2pi. Is there a way to ensure the correct 
periodicty either in the graph.psmp function or in the setup of the 
metadynamics variables? 

Seni

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