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- Introduction - PLUMED
PLUMED is a plugin that works with a large number of molecular dynamics codes (Codes interfaced with PLUMED ) It can be used to analyze features of the dynamics on-the-fly or to perform a wide variety of free energy methods
- How to get PLUMED | plumed by plumed
Conda-forge, packages plumed and py-plumed, as pre-compiled binaries with basic capabilities Other conda binaries containing development versions or nightly builds are available on the plumed channel
- The PLUMED manual | plumed by plumed
Here you can find the user manuals for currently supported and old versions of PLUMED, along with a manual of the PLUMED GitHub master branch (development version)
- PLUMED: Installation
If your favorite MD code is available "PLUMED ready" you will have to compile PLUMED first, then (optionally) install it, then check the MD codes' manual to discover how to link it
- PLUMED User’s Guide
In this chapter we describe how to activate PLUMED and how to create the correct PLUMED input le for a speci c type of free energy calculation The typical output of these calculations is also explained in detail
- Tutorials - PLUMED
Tutorials The following pages describe how to perform a variety of tasks using PLUMED In addition, the following websites contain resources that might be helpful Some older tutorials are also available here (some of them cover topics not covered by the recent tutorial but syntax may be outdated):
- PLUMED: Advanced Methods in MD 2023: Metadynamics simulations with PLUMED
The complete documentation for all the biasing methods available in PLUMED can be found at the Bias page In the following we will learn how to use PLUMED to perform and analyze a metadynamics simulation
- PLUMED Masterclass 21. 3: Umbrella sampling
You can find out in the PLUMED documention how to patch GROMACS with PLUMED so as to be able to install it from source For this tutorial, the conda precompiled binaries will be sufficient
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