linesonfes: Plot lines for Nudged Elastic Band projected onto free energy...
In spiwokv/metadynminer: Tools to Read, Analyze and Visualize Metadynamics HILLS Files from 'Plumed'
linesonfes R 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)
spiwokv/metadynminer documentation built on Dec. 3, 2023, 5:05 a.m.
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| linesonfes | R 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)
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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