Displaying 1 result from an estimated 1 matches for "work_curves".
2010 Apr 12
0
WMTSA "wavCWTPeaks" : Error in if (time.start < times.range[1]) time.start <- times.range[1]
...nd 3 have to be considered. It is the work trajectory of a molecule migrating between two equilibrium conformations.
The curve has 2 peaks, as shown in its plot. But I keep missing the 2nd one. Here is my short script:
library(wmtsa)
setwd("C:/Documents and Settings/Monville/Alanine Dipeptide/Work_curves-Dir")
work <- as.ts(read.table ("calc_work_332")[,c(1,3)])
plot(work[,1],work[,2])
work.wt <- wavCWT(work, n.scale=1000)
scales <- attr(work.wt, "scale")
work.tree <- wavCWTTree(work.wt,tolerance=0.5/sqrt(scales))
work.peak <- wavCWTPeaks(work.tree)
> summ...