Slot: time_step

Time between integration steps in a simulation, given as a float.

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

Applicable Classes

Name	Description	Modifies Slot
Integrator	Settings used for the simulation integrator	no

Properties

Type and Range

Property	Value
Range	TimeQuantity
Domain Of	Integrator

Cardinality and Requirements

Property	Value

Aliases

• Integration Step

• Time Step

• dT

Identifier and Mapping Information

Annotations

property	value
engine_mapping	[{‘engine’: ‘amber’, ‘key’: ‘dt’, ‘unit’: ‘ps’}, {‘engine’: ‘gromacs’, ‘key’: ‘dt’, ‘unit’: ‘ps’}, {‘engine’: ‘lammps’, ‘key’: ‘timestep’, ‘unit’: ‘fs’}]

Schema Source

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

Mappings

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

LinkML Source

name: time_step
annotations:
  engine_mapping:
    tag: engine_mapping
    value:
    - engine: amber
      key: dt
      unit: ps
    - engine: gromacs
      key: dt
      unit: ps
    - engine: lammps
      key: timestep
      unit: fs
description: Time between integration steps in a simulation, given as a float.
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
aliases:
- Integration Step
- Time Step
- dT
rank: 1000
domain_of:
- Integrator
range: TimeQuantity