Nothing
exponentialFitting <- function (D, title){
time=D[,1]
rmsd=D[,2]
plot(time, rmsd,type="l", main="RMSD and Exp Fitting", sub=title,xlab="Time (ps)", ylab="RMSD (A)")
out <- tryCatch(
{
print("Try to apply an Exponential Fitting...")
nlPrediction <- nls(rmsd ~ Const - exp(-A * time),data=D, start=c("Const"=2,"A"=0.01))
print (summary(nlPrediction))
lines(time, predict(nlPrediction), col = 2)
return(summary(nlPrediction)$coefficients[,1])
},
error=function(cond){
print("ERROR, Exponential Fitting cannot be applied!!!")
return(NA)
},
warning=function(cond){
print("WARNING, probably it is better you use a NEW Fitting Function")
print (summary(nlPrediction))
lines(time, predict(nlPrediction), col = 2)
return(summary(nlPrediction)$coefficients[,1])
}
) #end tryCatch
return(out)
}
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