Description Usage Arguments Details Value Author(s) References Examples
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.
1 | read.hills(file = "HILLS", per = c(FALSE, FALSE))
|
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,
|
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 |
The file must be valid HILLS file from Plumed 2.
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. |
Vojtech Spiwok
http://www.plumed.org
1 2 | myhills <- read.hills("http://www.metadynamics.cz/metadynminer/data/HILLS", per=c(TRUE,TRUE))
summary(myhills)
|
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