All of the biasing and analysis methods implemented (abf,
harmonic, histogram and metadynamics)
recognize the following options:
name
Identifier for the bias Context: colvar bias
Acceptable values: string
Default value:
type of bias
bias index Description: This string is used to identify the bias or analysis method in
output messages and to name some output files.
colvars
Collective variables involved Context: colvar bias
Acceptable values: space-separated list of colvar names
Description: This option selects by name all the colvars to which this bias or
analysis will be applied.
outputEnergy
Write the current bias energy to the trajectory file Context: colvar bias
Acceptable values: boolean
Default value: off Description: If this option is chosen and colvarsTrajFrequency is not zero, the current value of the biasing energy will be written to the trajectory file during the simulation.