Slot: number_of_minimisation_steps¶

Number of integration steps performed during minimisation of the system, given as an integer.

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

Applicable Classes¶

Name	Description	Modifies Slot
Minimisation	Minimisation stage of simulation workflow	no

Properties¶

Type and Range¶

Property	Value
Range	integer
Domain Of	Minimisation

Cardinality and Requirements¶

Property	Value

Identifier and Mapping Information¶

Annotations¶

property	value
engine_mapping	[{‘engine’: ‘amber’, ‘key’: ‘maxcyc’}, {‘engine’: ‘gromacs’, ‘key’: ‘nsteps’}]

Schema Source¶

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

Mappings¶

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

LinkML Source¶

name: number_of_minimisation_steps
annotations:
  engine_mapping:
    tag: engine_mapping
    value:
    - engine: amber
      key: maxcyc
    - engine: gromacs
      key: nsteps
description: Number of integration steps performed during minimisation of the system,
  given as an integer.
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
rank: 1000
domain_of:
- Minimisation
range: integer