Tutorials

The following pages describe how to perform a variety of tasks using PLUMED

Master ISDD tutorial 2020: Brief introduction to PLUMED	This tutorial explains the syntax of the PLUMED input file and how to use PLUMED to analyze CVs
Master ISDD tutorial 2020: Metadynamics simulations with PLUMED	This tutorial explains how to use PLUMED to run metadynamics simulations
Lugano tutorial: Brief guide to PLUMED syntax and analyzing trajectories	This tutorial explains the syntax of the PLUMED input file and how to use PLUMED to analyze CVs
Lugano tutorial: Using restraints	This tutorial explains how to use PLUMED to run simple restrained simulations and account for the bias in the analysis
Lugano tutorial: Metadynamics simulations with PLUMED	This tutorial explains how to use PLUMED to run metadynamics simulations
Lugano tutorial: Calculating error bars	Calculating error bars
Lugano tutorial: Dimensionality reduction	How to perform dimensionality reduction using PLUMED
Lugano tutorial: Using PLUMED with LAMMPS	An exercise on running PLUMED with LAMMPS
Lugano tutorial: Binding of a ion and a dinucleotide	An exercise to compute binding free energies
Lugano tutorial: Computing proton transfer in water	An exercise to run a simple proton transfer calculation with CP2K
Lugano tutorial: Folding free energy for a protein described by a go-model	This tutorial propose a more complex case to test your own skill with a more realistic example
Using Hamiltonian replica exchange with GROMACS	This tutorial explains how to use Hamiltonian replica exchange in GROMACS
Julich tutorial: Developing CVs in plumed	Implementing new collective variables in plumed
ESDW Workshop Lyon 2019: A very simple introduction to PLUMED	This tutorial gives a brief introduction to PLUMED by showing how it can be used to study a cluster of 7 Lennard Jones atoms.
MARVEL tutorial: Analyzing CVs	This tutorial explains how to use PLUMED to analyze CVs
MARVEL tutorial: Path CVs	This tutorial explains how to use various kinds of path collective variables
Munster tutorial	A short 3 hours tutorial that introduces analysis, well-tempered metadynamics, and multiple-restraints umbrella sampling.
Optimizing PLUMED performance	A short 1.5 hours tutorial that introduces performance optimization

In addition, the following websites contain resources that might be helpful

http://www.youtube.com/watch?v=iDvZmbWE5ps	A short video introduction to the use of multicolvars in PLUMED 2
http://www.youtube.com/watch?v=PxJP16qNCYs	A short video introduction to the syntax of the PLUMED 2 input file
http://en.wikipedia.org/wiki/Metadynamics	A wikipedia article on metadynamics

Some older tutorials are also available here (some of them cover topics not covered by the recent tutorial but syntax may be outdated):

• Old Tutorials