ForceBetweenSetsMeasure

The ForceBetweenSetsMeasure step calculates and records the total force between defined sets of particles.

Output format:

#
From           To             Fx                  Fy                  Fz
set1           set2           -1.2345678901       0.9876543210        0.5432109876
set2           set1           1.2345678901        -0.9876543210       -0.5432109876
set1           set3           0.1111111111        -0.2222222222       0.3333333333
set3           set1           -0.1111111111       0.2222222222        -0.3333333333
...

type: MechanicalMeasure, ForceBetweenSetsMeasure
parameters:
- outputFilePath: string: Path to the output file
data:
- name: string: Name of the particle set
- id_list: int[]: List of particle IDs in the set

Example:

"forceBetweenSets":{
  "type":["MechanicalMeasure","ForceBetweenSetsMeasure"],
  "parameters":{
    "intervalStep": 10000,
    "outputFilePath": "force_between_sets.dat"
  },
  "labels":["name","id_list"],
  "data":[
    ["set1", [1, 2, 3, 4, 5]],
    ["set2", [6, 7, 8, 9, 10]]
  ]
}

Note

The output file will contain the total force between each pair of defined sets.

Tip

This measure is particularly useful for studying interactions between different parts of a system, such as protein domains or nanoparticle clusters.