metadynminer (version 0.1.7)

plot.nebpath: Plot Nudged Elastic Band

Description

`plot.nebpath` plots free energy profile calculated by Nudged Elastic Band.

Usage

# S3 method for nebpath
plot(x, xlim = NULL, ylim = NULL, main = NULL,
  sub = NULL, xlab = "bin", ylab = "free energy", col = "red",
  lwd = 1, asp = NULL, cex = 1, axes = T, ...)

Arguments

x

nebpath object.

xlim

numeric vector of length 2, giving the x coordinates range.

ylim

numeric vector of length 2, giving the y coordinates range.

main

an overall title for the plot: see 'title'.

sub

a sub title for the plot: see 'title'.

xlab

a title for the x axis: see 'title'.

ylab

a title for the y axis: see 'title'.

col

color code or name, see 'par'.

lwd

line width for drawing symbols see 'par'.

asp

the y/x aspect ratio, see 'plot.window'.

cex

text expansion.

axes

a logical value indicating whether both axes should be drawn on the plot.

...

further arguments passed to or from other methods.

Examples

# NOT RUN {
tfes<-fes(acealanme, imax=5000)
minima<-fesminima(tfes)
nebAD<-neb(minima, min1="A", min2="D", nsteps=20)
plot(nebAD)
# }