BIASFACTOR Well Tempered Metadynamics

[ar26...@gmail.com]

Dear All,

I'm trying to perform well tempered metadynamics and it is not clear to me what is the relation between the BIASFACTOR and TEMP options with the \Delta T parameter in the paper (A Barducci, G Bussi, and M Parrinello. Well-tempered metadynamics: A smoothly converging and tunable free-energy method. Phys. Rev. Lett., 100(2):020603, Jan 2008). If someone could throw some light into this I will appreciate it. Also, is it correct to run a standard metadynamics calculation and then restart it using the well tempered approach?

I'm asking the last question because in my calculations the gaussians height decays rapidly, even with a high bias factor, making to long the exploration of the complete collective variable space.

Thanks in advance,

Alejandro.

[ar26...@gmail.com]

The answer was in the tutorials https://plumed.github.io/doc-v2.5/user-doc/html/belfast-6.html. I think it should be included also in the description of the method.

Regards,

Alejandro.