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List of modules

The functionality in PLUMED 2 is divided into a small number of modules. Some users may only wish to use a subset of the functionality available within the code while others may wish to use some of PLUMED's more complicated features. For this reason the plumed source code is divided into modules, which users can activate or deactivate to their hearts content.

  • To activate a module add a file called modulename.on to the plumed2/src directory
  • To deactivate a module add a file called to the plumed2/src directory

Obviously, in the above instructions modulename should be replaced by the name of the module that you would like to activate or deactivate.

Some modules are active by default in the version of PLUMED 2 that you download from the website while others are inactive. The following lists all of the modules that are available in plumed and tells you whether or not they are active by default.

Module name Default behavior
analysis on
bias on
cltools on
colvar on
crystallization off
function on
generic on
imd off
manyrestraints off
mapping on
molfile on
multicolvar on
reference on
secondarystructure on
setup on
vatom on
vesselbase on