summary.minima3d {metadynminer3d}

Print minima3d object summary

Description

'summary.minima3d' prints summary for 3D free energy minima (identifier, values of bins and collective variables, free energy and equilibrium populations).

Usage

## S3 method for class 'minima3d'
summary(object, temp = 300, eunit = "kJ/mol", ...)

Arguments

object

minima3d object

temp

temperature in Kelvins

eunit

energy units (kJ/mol or kcal/mol, kJ/mol is default)

...

further arguments passed to or from other methods.

Examples

tfes<-fes(acealanme3d, imax=5000)
minima<-fesminima(tfes)
summary(minima)