sucurz/testing: Metadynminer reads, analyses and visualizes metadynamics HILLS files from Plumed.

Metadynminer reads 1D and 2D metadynamics HILLS files from Plumed package [1]. It uses a fast algorithm [2] to claculate the free energy surface from hills. Minima can be located and ploted on free energy surfaces.

Getting started

Package details

AuthorVojtech Spiwok
MaintainerVojtech Spiwok <[email protected]>
LicenseGPL-2
Version0.1
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
install.packages("devtools")
library(devtools)
install_github("sucurz/testing")
sucurz/testing documentation built on Nov. 18, 2017, 10:16 p.m.