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 -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/85a7468c-84ba-4317-8f8e-8b2cb9e5f64cn%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/85a7468c-84ba-4317-8f8e-8b2cb9e5f64cn%40googlegroups.com</a>.