Slot: vdw_cutoff_distance¶
Distance in Angstrom at which a Van der Waals interaction is turned off and a long-range non-bonded method is turned on.
URI: https://CCPBioSim.ac.uk/biosim-schema/vdw_cutoff_distance
Applicable Classes¶
Name |
Description |
Modifies Slot |
|---|---|---|
Settings used to define particle interactions |
no |
Properties¶
Type and Range¶
Property |
Value |
|---|---|
Range |
|
Domain Of |
Cardinality and Requirements¶
Property |
Value |
|---|
Examples¶
Value |
|---|
10 Å |
1.2 nm |
Identifier and Mapping Information¶
Annotations¶
property |
value |
|---|---|
engine_mapping |
[{‘engine’: ‘gromacs’, ‘key’: ‘rvdw’, ‘unit’: ‘nm’}] |
Schema Source¶
from schema: https://CCPBioSim.ac.uk/biosim-schema/
Mappings¶
Mapping Type |
Mapped Value |
|---|---|
self |
https://CCPBioSim.ac.uk/biosim-schema/vdw_cutoff_distance |
native |
https://CCPBioSim.ac.uk/biosim-schema/vdw_cutoff_distance |
LinkML Source¶
name: vdw_cutoff_distance
annotations:
engine_mapping:
tag: engine_mapping
value:
- engine: gromacs
key: rvdw
unit: nm
description: Distance in Angstrom at which a Van der Waals interaction is turned off
and a long-range non-bonded method is turned on.
examples:
- value: 10 Å
- value: 1.2 nm
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
rank: 1000
domain_of:
- Interactions
range: LengthQuantity