emptyhills: Generate empty HILLS from Plumed

View source: R/readingandfes.R

emptyhillsR Documentation

Generate empty HILLS from Plumed

Description

'emptyhills' returns a hillsfile object with no hills. User can specify whether some collective variables are periodic.

Usage

emptyhills(dim=2, per=c(FALSE, FALSE), pcv1=c(-pi,pi), pcv2=c(-pi,pi))

Arguments

dim

dimensionality of the output.

per

logical vector specifying periodicity of collective variables.

pcv1

periodicity of CV1.

pcv2

periodicity of CV2.

Value

hillsfile object.

Examples

emptyhills(dim=2)

metadynminer documentation built on April 14, 2022, 5:06 p.m.