plot.nebpath: Plot Nudged Elastic Band

In metadynminer: Tools to Read, Analyze and Visualize Metadynamics HILLS Files from 'Plumed'

Plot Nudged Elastic Band

Description

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

Usage

## S3 method for class '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

tfes<-fes(acealanme, imax=5000)
minima<-fesminima(tfes)
nebAD<-neb(minima, min1="A", min2="D", nsteps=20)
plot(nebAD)

metadynminer documentation built on April 14, 2022, 5:06 p.m.