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A simulation package for rare events

Project description

PyRETIS is a library for rare event simulations with emphasis on methods based on transition interface sampling replica exchange transition interface sampling.

PyRETIS is open source (see the COPYING and COPYING.LESSER files) and can be interfaced with other simulation packages such as GROMACS or CP2K.

The documentation is located at or it can found in the docs directory of the source code.

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