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

View source: R/nebs.R

linesonfesR Documentation

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

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

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