Tutorials

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

Master ISDD tutorial 2023: 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 2023: Metadynamics simulations with PLUMED This tutorial explains how to use PLUMED to run metadynamics simulations
PLUMED Masterclass 21.1: PLUMED syntax and analysis This Masterclass explains the syntax of the PLUMED input file and how to use PLUMED to analyze CVs
PLUMED Masterclass 21.2: Statistical errors in MD This Masterclass explains how to report averages, histograms and the associated error bars so that others can reproduce your results.
PLUMED Masterclass 21.3: Umbrella sampling This Masterclass explains how to use PLUMED to run simple restrained simulations and account for the bias in the analysis
PLUMED Masterclass 21.4: Metadynamics This Masterclass explains how to use PLUMED to run and analyze metadynamics simulations
PLUMED Masterclass 21.5: Simulations with multiple replicas This Masterclass explains how to use PLUMED to run multiple-replica simulations
PLUMED Masterclass 21.6: Dimensionality reduction This Masterclass explains how to select collective variables in a variety of contexts
PLUMED Masterclass 21.7: Optimizing PLUMED performances This Masterclass explains how to use optimize PLUMED performances
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
new-munster This tutorial explains how to use PLUMED to run metadynamics simulations
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):