openff-interchange documentation

openff-interchange

GROMACSDihedral

pydantic model openff.interchange.interop.gromacs.models.models.GROMACSDihedral

Bases: DefaultModel

A GROMACS dihedral.

Fields

• atom1 (pydantic.types.PositiveInt)

• atom2 (pydantic.types.PositiveInt)

• atom3 (pydantic.types.PositiveInt)

• atom4 (pydantic.types.PositiveInt)

field atom1: pydantic.types.PositiveInt [Required]

The GROMACS index of the first atom in the dihedral.

Constraints

• exclusiveMinimum = 0

field atom2: pydantic.types.PositiveInt [Required]

The GROMACS index of the second atom in the dihedral.

Constraints

• exclusiveMinimum = 0

field atom3: pydantic.types.PositiveInt [Required]

The GROMACS index of the third atom in the dihedral.

Constraints

• exclusiveMinimum = 0

field atom4: pydantic.types.PositiveInt [Required]

The GROMACS index of the fourth atom in the dihedral.

Constraints

• exclusiveMinimum = 0