PLUMED

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Limongelli V.

(Contributor)

Limongelli V.

(Contributor)

Abstract

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.
PLUMED works together with some of the most popular MD engines, such as ACEMDAmberDL_POLYGROMACSLAMMPSNAMDOpenMMDFTB+ABINCP2Ki-PIPINY-MD, and Quantum Espresso. In addition, PLUMED can be used to augment the capabilities of analysis tools such as VMDHTMDOpenPathSampling, and as a standalone utility to analyze pre-calculated MD trajectories.

Additional information

Licence
The software is realized with NO WARRANTY and it is licenzed under BSD 3-Clause license (https://opensource.org/licenses/BSD-3-Clause)
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