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