Dear community,

I've started a metadynamics simulation using VASP and everything looks great: I get in the REPORT file the updated values of my Collective Variable as well as the HILLSPOT/PENALTYPOT files.

Since I am quite sure that my system is at a very deep minimum in terms of energy, I would like to perform some benchmarks in order to test how high (and / or wide) the gaussians added to the potential should be. Unfortunately, I have no experience in this and even if I've been trying quite hard, I cannot understand what could be the best/fastest way of doing it.

My idea is to plot the free energy of my system over the collective variable and see, with different settings of my parameters, when this is actually changing / converging. The main problem is that I did not get where (or how) I can evaluate this free energy term. Thanks to whoever is going to help me.

Filippo Balzaretti