PLUMED

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Description

PLUMED is a plugin that works with a large number of molecular dynamics codes.

License

L-GPL

Usage

Upcoming modulesystem change alert!

Due to large number of applications and their versions it is not practical to keep them explicitly listed at our wiki pages. Therefore an upgrade of modulefiles is underway. A feature of this upgrade will be the existence of default module for every application. This default choice does not need version number and it will load some (usually latest) version.

You can test the new version now by adding a line

source /cvmfs/software.metacentrum.cz/modulefiles/5.1.0/loadmodules

to your script before loading a module. Then, you can list all versions of plumed and load default version of plumed as

module avail plumed/ # list available modules
module load plumed   # load (default) module


If you wish to keep up to the current system, it is still possible. Simply list all modules by

module avail plumed

and choose explicit version you want to use.

Documentation

https://www.plumed.org/