qp.manager.ff14SB_dict.get_ff14SB_dict¶

qp.manager.ff14SB_dict.get_ff14SB_dict()[source]¶

Return the ff14SB partial charge dictionary.

Returns:: Nested dict keyed by residue name then atom name, with partial charge values from the AMBER ff14SB force field (plus TIP3P water and common ion charges).
Return type:: dict