[CPMD-list] metadynamics

[gunaydin at ucla.edu]

Hi,

I am a newbie in CPMD and I want to run metadynamics simulation. I was
wondering if someone can give me a reference or information about how to
determine metadynamics parameters.

For example,

how to determine the force constant (k) and mass (M) for fictitious CV's.

how to determine the height of the hills potentials.

how to determine the extent of the gaussian functions (hills shift) and
the cut-off distances

by using an analysis run.

Best Regards, Hakan