Part III: The Theory Behind OpenMMΒΆ
- 18. Introduction
- 19. Standard Forces
- 19.1. HarmonicBondForce
- 19.2. HarmonicAngleForce
- 19.3. PeriodicTorsionForce
- 19.4. RBTorsionForce
- 19.5. CMAPTorsionForce
- 19.6. NonbondedForce
- 19.7. GBSAOBCForce
- 19.8. GayBerneForce
- 19.9. AndersenThermostat
- 19.10. MonteCarloBarostat
- 19.11. MonteCarloAnisotropicBarostat
- 19.12. MonteCarloMembraneBarostat
- 19.13. MonteCarloFlexibleBarostat
- 19.14. CMMotionRemover
- 19.15. RMSDForce
- 20. Custom Forces
- 20.1. CustomBondForce
- 20.2. CustomAngleForce
- 20.3. CustomTorsionForce
- 20.4. CustomNonbondedForce
- 20.5. CustomExternalForce
- 20.6. CustomCompoundBondForce
- 20.7. CustomCentroidBondForce
- 20.8. CustomManyParticleForce
- 20.9. CustomGBForce
- 20.10. CustomHbondForce
- 20.11. CustomCVForce
- 20.12. ATMForce
- 20.13. Writing Custom Expressions
- 20.14. Setting Parameters
- 20.15. Parameter Derivatives
- 21. Integrators
- 22. Other Features