Slot: average_kinetic_energy¶

Average kinetic energy sampled from the simulation, given as a float.

URI: https://CCPBioSim.ac.uk/biosim-schema/average_kinetic_energy

Applicable Classes¶

Name	Description	Modifies Slot
SimulationAverages	Average values of observables outputted from the simulation	no

Properties¶

Type and Range¶

Property	Value
Range	MolarEnergyQuantity
Domain Of	SimulationAverages

Cardinality and Requirements¶

Property	Value

Identifier and Mapping Information¶

Annotations¶

property	value
engine_mapping	[{‘engine’: ‘gromacs’, ‘key’: ‘Kinetic En.’, ‘unit’: ‘kJ/mol’}, {‘engine’: ‘amber’, ‘key’: ‘EKtot’, ‘unit’: ‘kcal/mol’}]

Schema Source¶

from schema: https://CCPBioSim.ac.uk/biosim-schema/

Mappings¶

Mapping Type	Mapped Value
self	https://CCPBioSim.ac.uk/biosim-schema/average_kinetic_energy
native	https://CCPBioSim.ac.uk/biosim-schema/average_kinetic_energy

LinkML Source¶

name: average_kinetic_energy
annotations:
  engine_mapping:
    tag: engine_mapping
    value:
    - engine: gromacs
      key: Kinetic En.
      unit: kJ/mol
    - engine: amber
      key: EKtot
      unit: kcal/mol
description: Average kinetic energy sampled from the simulation, given as a float.
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
rank: 1000
domain_of:
- SimulationAverages
range: MolarEnergyQuantity