max.fes3d: Calculate maximum of 3D free energy surface

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

Calculate maximum of 3D free energy surface

Description

'max.fes3d' calculates maximum of free energy in a fes3d object.

Usage

## S3 method for class 'fes3d'
max(inputfes, na.rm = NULL, ...)

Arguments

inputfes	fes3d object.
na.rm	a logical indicating whether missing values should be removed.
...	further arguments passed to or from other methods.

Examples

tfes<-fes(acealanme3d, imax=5000)
max(tfes)

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