init

__all__ = ['Amber20CLI', 'Amber20Forcefield', 'Amber20Inputs', 'Amber20Schema']

Amber20CLI

Bases: AmberCLIBase

Amber20Forcefield

Bases: ForcefieldSchemaBase

protein = Field(default=None)

Options for protein force fields.

• ff19SB
• ff14SB
• ff99SB
• ff15ipq
• fb15
• ff03ua

water = Field(default=None)

Options for water force fields.

Amber20Inputs

Bases: AmberInputsBase

Amber20Schema

Bases: AmberSchemaBase

Amber 20 schema for simulation contexts.

cli = Field(default_factory=Amber20CLI)

ff = Field(default_factory=Amber20Forcefield)

inputs = Field(default_factory=Amber20Inputs)