List of collective variablesΒΆ
- Bond length
- Shortest bond length
- Bond angle
- Torsion angle
- Coordination number
- Energy gap
- Cremer-Pople total puckering amplitude Q
- Cremer-Pople angle phi
- Cremer-Pople angle theta
- 3D Wiener number
- 3D Balaban index
- Lowest eigenvalue of the distance matrix
- Mulliken charge
- NOON
- NOON gap
- User-defined custom CV