init

__all__ = ['Amber18CLI', 'Amber18Forcefield', 'Amber18Inputs', 'Amber18Schema']

Amber18CLI

Bases: AmberCLIBase

Amber18Forcefield

Bases: ForcefieldSchemaBase

protein = Field(default=None)

Options for protein force fields.

• ff14SB
• ff99SB
• ff15ipq
• fb15
• ff03ua

water = Field(default=None)

Options for water force fields.

Amber18Inputs

Bases: AmberInputsBase

Amber18Schema

Bases: AmberSchemaBase

Amber 18 schema for simulation contexts.

cli = Field(default_factory=Amber18CLI)

ff = Field(default_factory=Amber18Forcefield)

inputs = Field(default_factory=Amber18Inputs)