遇见数据集

Force field definition for AmB and A21 atoms.

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Values for atom type, atom name, partial charge, and mass are shown. In the case of A21, charges of the R chemical group were taken from the ARGN [44] or HISA [57] 53A6 GROMOS residues. Atom name labels are mapped to the corresponding structure, shown in Fig 6.

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2016-09-29
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