OpenMM Molecular Dynamics (MD) Protocol ======================================= .. _md protocol api: A Protocol for running MD simulation using OpenMM. Protocol API Specification -------------------------- .. module:: openfe.protocols.openmm_md .. autosummary:: :nosignatures: :toctree: generated/ PlainMDProtocol PlainMDProtocolUnit PlainMDProtocolResult Protocol Settings ----------------- .. module:: openfe.protocols.openmm_md.plain_md_settings .. autopydantic_model:: PlainMDProtocolSettings :model-show-json: False :model-show-field-summary: False :model-show-config-member: False :model-show-config-summary: False :model-show-validator-members: False :model-show-validator-summary: False :field-list-validators: False :inherited-members: SettingsBaseModel :exclude-members: get_defaults :member-order: bysource