plumed 2.10.0
Channel: guix-science
Home page: https://www.plumed.org/
Licenses: LGPL 3+
Synopsis: The community-developed PLUgin for MolEcular Dynamics
Description:
PLUMED is a 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.
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