Action: ABMD

Module bias
Description Usage
Adds a ratchet-and-pawl like restraint on one or more variables. used in 0 tutorialsused in 2 eggs

Output components

This action calculates the values in the following table. These values can be referenced elsewhere in the input by using this Action's label followed by a dot and the name of the value required from the list below.

Name Type Description
bias scalar the instantaneous value of the bias potential
force2 scalar the instantaneous value of the squared force due to this bias potential
_min scalar one or multiple instances of this quantity can be referenced elsewhere in the input file

Input

The arguments that serve as the input for this action are specified using one or more of the keywords in the following table.

Keyword Type Description
ARG scalar the labels of the scalars on which the bias will act

Further details and examples

Text from manual goes here

Syntax

The following table describes the keywords and options that can be used with this action

Keyword Type Default Description
ARG input none the labels of the scalars on which the bias will act
TO compulsory none The array of target values
KAPPA compulsory none The array of force constants
NUMERICAL_DERIVATIVES optional false calculate the derivatives for these quantities numerically
MIN optional not used Array of starting values for the bias (set rho_m(t), otherwise it is set using the current value of ARG)
NOISE optional not used Array of white noise intensities (add a temperature to the ABMD)
SEED optional not used Array of seeds for the white noise (add a temperature to the ABMD)