Metadynminer is R packages for reading, analysis and visualisation of metadynamics HILLS and COLVAR files produced by Plumed.
```R
install.packages("metadynminer") # in future will be added to R repository
library(metadynminer) # in future will be added to R repository
hills<-read.hills("HILLS", per=c(TRUE, TRUE)) # done
hills+hills # done
summary(hills) # done
plot(hills) # done
plotheights(hills) # done
fes<-fes(hills, tmin=5000, tmax=10000) # done, to do manual
fes+fes # done, to do manual
fes<-fes+min(fes1) # done, to do manual
summary(fes) # done, to do manual
plot(fes) # done
tfes<-fes(hills, tmax=1000) png("test%03d.png") plot(tfes, zlim=c(-120,0)) for(i in 1:10) { tfes<-tfes+fes(hills, tmin=1000i+1, tmax=1000(i+1)) plot(tfes, zlim=c(-120,0)) } dev.off()
minima<-fesminima(fes) # done, to do manual
summary(minima) # done, to do manual
minima<-emptyminima(fes) # done, to do manual
minima<-oneminimum(fes, cv1=0, cv2=0) # done, to do manual
fesminima(fes) + oneminimum(fes, cv1=0, cv2=0) # done, to do manual
plot(minima) # 2D done, 1D to do, to do manual
prof<-feprofiles(hills, minima) # done, to do manual
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.