- NAME
TEMPERED - During a metadynamics simulation,
adds an hill to the biasing potential with a
decreasing probability.
- SYNOPSIS
TEMPERED
- DESCRIPTION
When present, the program adds an hill to the
current biasing potential with a probability given by
, where
is the maximum value of the potential at
time and
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
.
- DEFAULTS
0.0
procacci
2021-12-29