metadynminer (version 0.1.7)

linesonfes: Plot lines for Nudged Elastic Band projected onto free energy surface

Description

`linesonfes` plots lines for free energy profile calculated by Nudged Elastic Band projected onto free energy surface.

Usage

linesonfes(x, col = "red", lwd = 1)

Arguments

x

nebpath object.

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)
linesonfes(nebAD)
# }