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 …

PLUMED can be interfaced with the host code using a single well-documented API that enables the PLUMED functionalities to be imported. The API is accessible from multiple languages (C, C++, …

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.

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).

Jan 8, 2017 · 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.

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 …

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 …

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 …

CV Documentation The following list contains descriptions of a number of the colvars that are currently implemented in PLUMED. ... In addition to the keywords above, by enabling optional modules you …

Feb 15, 2021 · 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 …