summary.minima: Print minima object summary

In spiwokv/metadynminer: Tools to Read, Analyze and Visualize Metadynamics HILLS Files from 'Plumed'

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 class '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

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

spiwokv/metadynminer documentation built on Dec. 3, 2023, 5:05 a.m.