endstate_correction.protocol.AllProtocol
- class endstate_correction.protocol.AllProtocol(fep_protocol: None | FEPProtocol = None, neq_protocol: None | NEQProtocol = None, smc_protocol: None | SMCProtocol = None)[source]
Bases:
object
Dataclass for running all protocols
Methods
Attributes
fep_protocol
neq_protocol
smc_protocol