Slot: electrostatic_cutoff_distance¶

Distance in Angstrom at which a electrostatic interaction is turned off and a long-range non-bonded method is turned on, given as a float.

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

Applicable Classes¶

Name	Description	Modifies Slot
Interactions	Settings used to define particle interactions	no

Properties¶

Type and Range¶

Property	Value
Range	LengthQuantity
Domain Of	Interactions

Cardinality and Requirements¶

Property	Value

Examples¶

Value
10 Å
1.2 nm

Identifier and Mapping Information¶

Annotations¶

property	value
engine_mapping	[{‘engine’: ‘gromacs’, ‘key’: ‘rcoulomb’, ‘unit’: ‘nm’}, {‘engine’: ‘amber’, ‘key’: ‘cut’, ‘unit’: ‘Å’}]

Schema Source¶

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

Mappings¶

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

LinkML Source¶

name: electrostatic_cutoff_distance
annotations:
  engine_mapping:
    tag: engine_mapping
    value:
    - engine: gromacs
      key: rcoulomb
      unit: nm
    - engine: amber
      key: cut
      unit: Å
description: Distance in Angstrom at which a electrostatic interaction is turned off
  and a long-range non-bonded method is turned on, given as a float.
examples:
- value: 10 Å
- value: 1.2 nm
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
rank: 1000
domain_of:
- Interactions
range: LengthQuantity