PLUMED metadynamics analysis

[ekwan]

In the metadynamics analysis tutorial, some sample input for the HILLS file is given:

#! FIELDS time phi sigma_phi height biasf
#! SET multivariate false
#! SET min_phi -pi
#! SET max_phi pi

What is the definition of the biasf column? I am trying to convert Desmond output to a format suitable for PLUMED.

Also, how can I adjust the units of this analysis so it takes input and gives output in kcal/mol?

Thanks!

[GiovanniBussi]

This is the biasfactor used in welltempered metadynamics (called gamma here). If you used non-welltempered metadynamics, you should set this to -1.0.

[PhilipZhu]

When I ran LAMMPS with PLUMED, I got this HILL file as output, what does the line mean?

#! SET multivariate false

I wanted to do metadynamics with 3 CVs, would that require multivariate gaussian? If so, how can I set this?