GyrationRadius

The GyrationRadius step calculates and records the radius of gyration of the system or a specified group of particles.

Output format:

# step GyrationRadius
0 2.345
100 2.456
200 2.567

---

• type: GeometricalMeasure, GyrationRadius

• parameters:

  • outputFilePath: string: Path to the output file

Example:

"gyrationRadius":{
  "type":["GeometricalMeasure","GyrationRadius"],
  "parameters":{
    "intervalStep": 10000,
    "outputFilePath": "gyration_radius.dat"
  }
}

Note

The output file will contain the step number and the radius of gyration value.

Note

A group can be specified by using the group parameter. The radius of gyration will be calculated for the specified group of particles.

Tip

The radius of gyration is particularly useful for characterizing the size and shape of polymers or other complex molecular structures.