oneminimum.fes: Creates one ad hoc free energy minimum for a fes object

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Creates one ad hoc free energy minimum for a fes object

Description

'oneminimum.fes' creates an ad hoc free energy minimum on free energy surface. This can be used to calculate free energy surface evolution at arbitrary point of free energy surface.

Usage

## S3 method for class 'fes'
oneminimum(inputfes, cv1, cv2, cv3)

Arguments

inputfes	fes object.
cv1	the value of collective variable 1.
cv2	the value of collective variable 2.
cv3	the value of collective variable 3.

Value

minima object.

Examples

tfes<-fes(acealanme1d)
minima<-fesminima(tfes)
minima<-minima+oneminimum(tfes, cv1=0, cv2=0)
minima

metadynminer documentation built on April 14, 2022, 5:06 p.m.