Read HILLS from Plumed — read.hills • metadynminer

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

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))
#> 2D HILLS file read
#> 2D hills file /tmp/RtmpWn59MX/file2b201f892220 with 4 lines