metadynminer (version 0.1.7)

summary.minima: Print minima object summary

Description

`summary.minima` prints summary for free energy minima (identifier, values of bins and collective variables, free energy and equilibrium populations).

Usage

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

Arguments

object

minima 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

# NOT RUN {
tfes<-fes(acealanme, imax=5000)
minima<-fesminima(tfes)
summary(minima)
# }