print.hillsfile: HILLS reader

Description Usage Arguments Details Value Author(s) References Examples

View source: R/metadynminer.R

Description

Function to read HILLS file produced by Plumed. It read HILLS file with one or two CVs and automatically recognizes its the number of CVs. The output is a hillsfile object.

Usage

1
read.hills(file = "HILLS", per = c(FALSE, FALSE))

Arguments

file

the name of the file which the data are to be read from. If it does not contain an absolute path, the file name is relative to the current working directory, getwd(). Compressed files are not supported.

file can also be a complete URL. Default name is HILLS.

per

describes periodicity of CV(s). It is a vector with one or two logical values. If for example both CVs are periodic from -pi to +pi it should be set to c(TRUE, TRUE). It is FALSE by default.

Details

The file must be valid HILLS file from Plumed 2.

Value

An object hillsfile containing hill positions, heights and widths.

An object of class hillsfile is a list containing following components:

hillsfile

hillsfile is a data frame containing time, CV(s), hill width(s), height and bias factor.

size

size id a vector containing the number of lines and columns of hillsfile.

filename

filename is the name of the HILLS file.

Author(s)

Vojtech Spiwok

References

http://www.plumed.org

Examples

1
2
  myhills <- read.hills("http://www.metadynamics.cz/metadynminer/data/HILLS", per=c(TRUE,TRUE))
  summary(myhills)

sucurz/testing documentation built on May 29, 2019, 9:51 a.m.