DistancesMeasure

The DistancesMeasure step calculates and records the distances between specified pairs of particles over time.

Output format:

# Step 1
distance1 distance2 distance3 ...
# Step 2
distance1 distance2 distance3 ...
# Step 3
distance1 distance2 distance3 ...
...

---

• type: ParticlesListMeasure, DistancesMeasure

• parameters:

  • outputFilePath: string: Path to the output file

• data:

  • id_i: int: ID of the first particle in the pair

  • id_j: int: ID of the second particle in the pair

Example:

"distancesMeasure":{
  "type":["ParticlesListMeasure","DistancesMeasure"],
  "parameters":{
    "intervalStep": 10000,
    "outputFilePath": "distances.dat"
  },
  "labels":["id_i", "id_j"],
  "data":[
    [1, 5],
    [2, 6],
    [3, 7]
  ]
}

Note

The output file will contain the distances for all specified pairs of particles at each step.

Tip

This measure is similar to ContactsMeasure but focuses specifically on distances. It’s useful for tracking bond lengths, intermolecular distances, or monitoring separation between specific particles.