summary.minima3d: Print minima3d object summary

In metadynminer3d: Tools to Read, Analyze and Visualize Metadynamics 3D HILLS Files from 'Plumed'

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)

metadynminer3d documentation built on April 14, 2022, 5:08 p.m.