AmoebaAngleForce |
This class implements an interaction between triplets of particles that varies with the angle between them. |
AmoebaBondForce |
This class implements an interaction between pairs of particles that varies with the distance between them. |
AmoebaGeneralizedKirkwoodForce |
This class implements an implicit solvation force using the generalized Kirkwood/Grycuk model. |
AmoebaInPlaneAngleForce |
This class implements an interaction at trigonal centers corresponding to the projected in-plane angle bend energy between four particles. |
AmoebaMultipoleForce |
This class implements the Amoeba multipole interaction. |
AmoebaOutOfPlaneBendForce |
This class implements the Amoeba out-of-plane bend interaction. |
AmoebaPiTorsionForce |
This class implements the Amoeba pi-torsion interaction. |
AmoebaStretchBendForce |
This class implements the Amoeba stretch-bend interaction. |
AmoebaTorsionTorsionForce |
This class implements the Amoeba torsion-torsion interaction. |
AmoebaVdwForce |
This class implements a buffered 14-7 potential used to model van der Waals forces. |
AmoebaWcaDispersionForce |
This class implements a nonbonded interaction between pairs of particles typically used along with AmoebaGeneralizedKirkwoodForce as part of an implicit solvent model. |
AndersenThermostat |
This class uses the Andersen method to maintain constant temperature. |
CMAPTorsionForce |
This class implements an interaction between pairs of dihedral angles. |
CMMotionRemover |
This class prevents the center of mass of a System from drifting. |
CustomAngleForce |
This class implements interactions between sets of three particles that depend on the angle between them. |
CustomBondForce |
This class implements bonded interactions between pairs of particles. |
CustomCVForce |
This class supports energy functions that depend on collective variables. |
CustomCentroidBondForce |
This class is similar to CustomCompoundBondForce, but instead of applying forces between individual particles, it applies them between the centers of groups of particles. |
CustomCompoundBondForce |
This class supports a wide variety of bonded interactions. |
CustomExternalForce |
This class implements an “external” force on particles. |
CustomGBForce |
This class implements complex, multiple stage nonbonded interactions between particles. |
CustomHbondForce |
This class supports a wide variety of energy functions used to represent hydrogen bonding. |
CustomManyParticleForce |
This class supports a wide variety of nonbonded N-particle interactions, where N is user specified. |
CustomNonbondedForce |
This class implements nonbonded interactions between particles. |
CustomTorsionForce |
This class implements interactions between sets of four particles that depend on the torsion angle between them. |
DrudeForce |
This class implements forces that are specific to Drude oscillators. |
Force |
Force objects apply forces to the particles in a System, or alter their behavior in other ways. |
GBSAOBCForce |
This class implements an implicit solvation force using the GBSA-OBC model. |
GayBerneForce |
This class implements the Gay-Berne anisotropic potential. |
HarmonicAngleForce |
This class implements an interaction between groups of three particles that varies harmonically with the angle between them. |
HarmonicBondForce |
This class implements an interaction between pairs of particles that varies harmonically with the distance between them. |
MonteCarloAnisotropicBarostat |
This class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure. |
MonteCarloBarostat |
This class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure. |
MonteCarloMembraneBarostat |
This is a Monte Carlo barostat designed specifically for membrane simulations. |
NonbondedForce |
This class implements nonbonded interactions between particles, including a Coulomb force to represent electrostatics and a Lennard-Jones force to represent van der Waals interactions. |
PeriodicTorsionForce |
This class implements an interaction between groups of four particles that varies periodically with the torsion angle between them. |
RBTorsionForce |
This class implements an interaction between groups of four particles that varies with the torsion angle between them according to the Ryckaert-Bellemans potential. |
RMSDForce |
This is a force whose energy equals the root mean squared deviation (RMSD) between the current coordinates and a reference structure. |
RPMDMonteCarloBarostat |
This class is very similar to MonteCarloBarostat, but it is specifically designed for use with RPMDIntegrator. |