Action: ENSEMBLE

Module	function
Description	Usage
Calculates the replica averaging of a collective variable over multiple replicas.

Details and examples

Calculates the replica averaging of a collective variable over multiple replicas.

Each collective variable is averaged separately and stored in a component labelled label.cvlabel.

Examples

The following input tells plumed to calculate the distance between atoms 3 and 5 and the average it over the available replicas.

Click on the labels of the actions for more information on what each action computes

distThe DISTANCE action with label dist calculates the following quantities:
 Quantity   
 Type   
 Description  
dist
scalar
the DISTANCE between this pair of atoms: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=3,5
ensThe ENSEMBLE action with label ens calculates the following quantities:
 Quantity   
 Type   
 Description  
ens.dist
scalar
the average for argument dist: ENSEMBLECalculates the replica averaging of a collective variable over multiple replicas. More details ARGthe labels of the values from which the function is calculated=dist
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=dist,ens.dist

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 values from which the function is calculated

Full list of keywords

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 values from which the function is calculated
NUMERICAL_DERIVATIVESThis keyword do not have examples	optional	false	calculate the derivatives for these quantities numerically
REWEIGHTThis keyword do not have examples	optional	false	simple REWEIGHT using the latest ARG as energy
CENTRALThis keyword do not have examples	optional	false	calculate a central moment instead of a standard moment
TEMPThis keyword do not have examples	optional	not used	the system temperature - this is only needed if you are reweighting
MOMENTThis keyword do not have examples	optional	not used	the moment you want to calculate in alternative to the mean or the variance
POWERThis keyword do not have examples	optional	not used	the power of the mean (and moment)