Support for FEP calculation in LAMMPS · Issue #349 · alchemistry/alchemlyb · GitHub

8000 Support for FEP calculation in LAMMPS · Issue #349 · alchemistry/alchemlyb · GitHub

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Support for FEP calculation in LAMMPS #349
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#348
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Support for FEP calculation in LAMMPS#349
#348
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LAMMPSMD engine enhancement
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jaclark5
opened on Mar 13, 2024
It would be nice if this package was compatible with the outputs of LAMMPS FEP package.
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LAMMPSMD engine enhancement
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