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The following pages describe how to perform a variety of tasks using PLUMED
| Master ISDD tutorial 2021: 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 2021: 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):
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