wiederm / ghost_parameters

Transforms a topology and parameter with dummy atoms in such a way that the dummy group does not influence the geometry of the real atoms

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ghost_parameters

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Transforms a topology and parameter with dummy atoms in such a way that the dummy group does not influence the geometry of the real atoms.

Copyright

Copyright (c) 2019, Marcus Wieder

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.0.

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Transforms a topology and parameter with dummy atoms in such a way that the dummy group does not influence the geometry of the real atoms

License:MIT License


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