WTEMPERED

NAME
WTEMPERED - During a metadynamics simulation, adds an hill to the biasing potential with a decreasing probability, following the well-tempered metadynamics algorithm.

SYNOPSIS
WTEMPERED    $T^{\prime}$

DESCRIPTION
When present, the program adds an hill to the current biasing potential with a probability given by $P({\rm acc}) = \exp (- V(s,t))/k_BT^{\prime}$, where $V(s,t)$ is the value of the biasing potential and $T^{\prime}$ is a user-defined temperature.

EXAMPLES
WTEMPERED 1000.0
Run a tempered metadynamics simulation adding new potential terms with a probability that depends on the ratio $V(s,t)/k_B*1000.0$.

DEFAULTS
$T^{\prime}$ 0.0