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Eliminate ligand_atoms and receptor_atoms in favor of a single alchemical_atoms #6

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jchodera opened this issue Oct 17, 2015 · 0 comments
Open

Eliminate ligand_atoms and receptor_atoms in favor of a single alchemical_atoms #6

jchodera opened this issue Oct 17, 2015 · 0 comments
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alchemy 2.0

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@jchodera
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We may later want the ability to have multiple alchemical atomsets, supporting a more complex set of alchemical parameters such as lambda_sterics_[name], etc.
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