read.hills: Read HILLS from Plumed

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

Read HILLS from Plumed

Description

'read.hills' reads a HILLS file generated by Plumed and returns a hillsfile object. User can specify whether some collective variables are periodic.

Usage

read.hills(file = "HILLS", per = c(FALSE, FALSE), pcv1 = c(-pi, pi),
  pcv2 = c(-pi, pi), ignoretime = FALSE)

Arguments

file	HILLS file from Plumed.
per	logical vector specifying periodicity of collective variables.
pcv1	periodicity of CV1.
pcv2	periodicity of CV2.
ignoretime	time in the first column of the HILLS file will be ignored.

Value

hillsfile object.

Examples

l1<-"1 -1.409  2.808 0.3 0.3 1.111 10"
l2<-"2 -2.505  2.791 0.3 0.3 1.111 10"
l3<-"3 -2.346  2.754 0.3 0.3 1.069 10"
l4<-"4 -1.198  2.872 0.3 0.3 1.074 10"
fourhills<-c(l1,l2,l3,l4)
tf <- tempfile()
writeLines(fourhills, tf)
read.hills(tf, per=c(TRUE,TRUE))

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