SELECTOR
This is part of the isdb module

Defines a variable (of the type double) inside the PLUMED code that can be used and modified by other actions.

A SELECTOR can be used for example to activate or modify a bias based on its current value.

Examples

A typical example is the simulated-tempering like approach activated by RESCALE. In this example the total potential energy of the system is scaled by a parameter defined on a grid of dimension NBIN in the range from 1 to MAX_RESCALE. The value of the scaling parameter is determined by the current value of the SELECTOR GAMMA. The value of the SELECTOR is updated by a MC protocol inside the RESCALE class. A well-tempered metadynamics potential is used to enhance sampling in the SELECTOR space.

Click on the labels of the actions for more information on what each action computes
tested on v2.8
ene: ENERGY 
SELECTOR 
NAME
compulsory keyword name of the SELECTOR
=GAMMA
VALUE
compulsory keyword set (initial) value of the SELECTOR
=0 res: RESCALE ...
ARG
the input for this action is the scalar output from one or more other actions.
=ene
TEMP
compulsory keyword temperature
=300
SELECTOR
compulsory keyword name of the SELECTOR used for rescaling
=GAMMA
MAX_RESCALE
compulsory keyword maximum values for rescaling
=1.2
NBIN
compulsory keyword number of bins for gamma grid
=2
W0
could not find this keyword
=1000
BIASFACTOR
compulsory keyword bias factor
=100.0
BSTRIDE
compulsory keyword stride for writing bias
=2000
BFILE
compulsory keyword file name for bias
=bias.dat ... PRINT
FILE
the name of the file on which to output these quantities
=COLVAR
ARG
the input for this action is the scalar output from one or more other actions.
=*
STRIDE
compulsory keyword ( default=1 ) the frequency with which the quantities of interest should be output
=100
Glossary of keywords and components
Compulsory keywords
NAME name of the SELECTOR
VALUE set (initial) value of the SELECTOR