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15.0 > Libraries > PLUMED (2.8.0)

  PLUMED is an open-source, community-developed library that provides
a wide range of different methods, which include:
  - enhanced-sampling algorithms
  - free-energy methods
  - tools to analyze the vast amounts of data produced by molecular
  dynamics (MD) simulations.

  These techniques can be used in combination with a large toolbox
of collective variables that describe complex processes in physics,
chemistry, material science, and biology.


  By default PLUMED is compiled in serial mode, if you want to
enable parallel mode set one of the following variables:
  - OMP=yes, for enable OpenMP
  - MPI=yes, for enable MPI (requires mpich or openmpi)
  - HYBRID=yes, OpenMP+MPI (requires mpich or openmpi)

  For building support for python set PYTHON=yes.

If you want to install the documentation set DOC=yes

 * Optional dependences: blas and lapack (shall improve performance)

Maintained by: William PC
Keywords: molecular dynamics,free-energy,trajectory-analysis
ChangeLog: PLUMED