read.hills3d {metadynminer3d} | R Documentation |
Read 3D HILLS from Plumed
Description
'read.hills3d' reads a HILLS file generated by Plumed and returns a hillsfile3d object. User can specify whether some collective variables are periodic.
Usage
read.hills3d(file = "HILLS", per = c(FALSE, FALSE, FALSE),
pcv1 = c(-pi, pi), pcv2 = c(-pi, pi), pcv3 = 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. |
pcv3 |
periodicity of CV3. |
ignoretime |
time in the first column of the HILLS file will be ignored. |
Value
hillsfile object.
Examples
l1<-"1 -1.587 -2.969 3.013 0.3 0.3 0.3 1.111 10"
l2<-"2 -1.067 2.745 2.944 0.3 0.3 0.3 1.109 10"
l3<-"3 -1.376 2.697 3.049 0.3 0.3 0.3 1.080 10"
l4<-"4 -1.663 2.922 -3.065 0.3 0.3 0.3 1.072 10"
fourhills<-c(l1,l2,l3,l4)
tf <- tempfile()
writeLines(fourhills, tf)
read.hills3d(tf, per=c(TRUE,TRUE))
[Package metadynminer3d version 0.0.2 Index]