TEMPERED

NAME
TEMPERED - During a metadynamics simulation, adds an hill to the biasing potential with a decreasing probability.
SYNOPSIS
TEMPERED    $ T^{\prime}$
DESCRIPTION
When present, the program adds an hill to the current biasing potential with a probability given by $ P({\rm acc}) = \exp (- V_{{\rm max}}(t))/k_BT^{\prime}$, where $ V_{\rm max}(t)$ is the maximum value of the potential $ V(s,t)$ at time $ t$ and $ T^{\prime}$ is a user-defined temperature.
EXAMPLES
TEMPERED 1000.0
Run a tempered metadynamics simulation adding new potential terms with a probability that depends on the ratio $ V_{\rm max}(t)/k_B*1000.0$.
DEFAULTS
$ T^{\prime}$ 0.0


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procacci 2021-12-29