Action: ECV_CUSTOM

Module opes
Description Usage
Use some given CVs as a set of expansion collective variables (ECVs). used in 0 tutorialsused in 0 eggs

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 single ECVs

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 single ECVs
TEMP compulsory -1 temperature
NUMERICAL_DERIVATIVES optional false calculate the derivatives for these quantities numerically
ADD_P0 optional false add the unbiased Boltzmann distribution to the target distribution, to make sure to sample it
DIMENSIONLESS optional false consider ARG as dimensionless rather than an energy, thus do not multiply it by beta
BARRIER optional not used a guess of the free energy barrier to be overcome (better to stay higher than lower)