R/testit.R
In sucurz/testing: Metadynminer reads, analyses and visualizes metadynamics HILLS files from Plumed.
source("metadynminer.R")
hillsf <- read.hills("HILLS_1.3_full", per=c(T,T))
#hillsf <- read.hills("HILLS_AceProProNH2", per=c(T))
tfes<-fes(hillsf)
png("test.png")
#plot(tfes)
mins<-fesminima(tfes)
#print(mins)
#summary(mins)
#plot(mins)
prof1<-feprof(mins)
plot(prof1[,4]-prof1[,2])
dev.off()
sucurz/testing documentation built on May 29, 2019, 9:51 a.m.
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source("metadynminer.R")
hillsf <- read.hills("HILLS_1.3_full", per=c(T,T))
#hillsf <- read.hills("HILLS_AceProProNH2", per=c(T))
tfes<-fes(hillsf)
png("test.png")
#plot(tfes)
mins<-fesminima(tfes)
#print(mins)
#summary(mins)
#plot(mins)
prof1<-feprof(mins)
plot(prof1[,4]-prof1[,2])
dev.off()
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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