metadynminer (version 0.1.7)

pointsonfes: Plot points for Nudged Elastic Band projected onto free energy surface

Description

`pointsonfes` plots points for free energy profile calculated by Nudged Elastic Band projected onto free energy surface.

Usage

pointsonfes(x, pch = NULL, cex = 1, bg = NULL, col = "red",
  lwd = 1)

Arguments

x

nebpath object.

pch

plotting 'character', i.e., symbol to use. See 'points'.

cex

character (or symbol) expansion: a numerical vector. This works as a multiple of 'par("cex")'.

bg

background (fill) color for the open plot symbols given by 'pch = 21:25'.

col

color code or name, see 'par'.

lwd

line width for drawing symbols see 'par'.

Examples

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