Atom in molecules atomic charges and multipoles of amino acid side chain dimers and their atom position
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The json files are named according to the protein trajectory from which the amino acid dimers interacting through pi-pi interactions were taken. The corresponing aim file contains the atomic charges and multipoles derived with different AIM methods as Hirshfeld, Hirshfeld-I, AvH and MBIS.
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Zenodo创建时间：
2025-01-09
