pointsonfes: Plot points for Nudged Elastic Band projected onto free...

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

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

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

spiwokv/metadynminer documentation built on Dec. 3, 2023, 5:05 a.m.