Slot: chain_length¶

Usually required in the Nosé-Hoover thermostat, the chain length (e.g., nh-chain-length in GROMACS) is used to maintain canonical distribution, given as an integer.

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

Applicable Classes¶

Name	Description	Modifies Slot
Thermostat	Settings used for the simulation thermostat	no

Properties¶

Type and Range¶

Property	Value
Range	integer
Domain Of	Thermostat

Cardinality and Requirements¶

Property	Value

Value Constraints¶

Property	Value
Minimum Value	0

Identifier and Mapping Information¶

Annotations¶

property	value
engine_mapping	[{‘engine’: ‘amber’, ‘key’: ‘nhc_chain_length’}, {‘engine’: ‘gromacs’, ‘key’: ‘nh-chain-length’}]

Schema Source¶

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

Mappings¶

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

LinkML Source¶

name: chain_length
annotations:
  engine_mapping:
    tag: engine_mapping
    value:
    - engine: amber
      key: nhc_chain_length
    - engine: gromacs
      key: nh-chain-length
description: Usually required in the Nosé-Hoover thermostat, the chain length (e.g.,
  nh-chain-length in GROMACS) is used to maintain canonical distribution, given as
  an integer.
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
rank: 1000
domain_of:
- Thermostat
range: integer
minimum_value: 0