OpenMM
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![]() ![]() | This file provides a variety of macros useful in test cases |
![]() ![]() ![]() | This class uses the Andersen method to maintain constant temperature |
![]() ![]() ![]() | This is an Integrator which simulates a System using Brownian dynamics |
![]() ![]() ![]() | This class implements an interaction between pairs of dihedral angles |
![]() ![]() ![]() | This class prevents the center of mass of a System from drifting |
![]() ![]() ![]() | A Context stores the complete state of a simulation |
![]() ![]() ![]() | This class implements interactions between sets of three particles that depend on the angle between them |
![]() ![]() ![]() | This class implements bonded interactions between pairs of particles |
![]() ![]() ![]() | This class supports a wide variety of bonded interactions |
![]() ![]() ![]() | This class implements an "external" force on particles |
![]() ![]() ![]() | This class implements complex, multiple stage nonbonded interactions between particles |
![]() ![]() ![]() | This class supports a wide variety of energy functions used to represent hydrogen bonding |
![]() ![]() ![]() | This is an Integrator that can be used to implemented arbitrary, user defined integration algorithms |
![]() ![]() ![]() | This class implements nonbonded interactions between particles |
![]() ![]() ![]() | This class implements interactions between sets of four particles that depend on the torsion angle between them |
![]() ![]() ![]() | Force objects apply forces to the particles in a System, or alter their behavior in other ways |
![]() ![]() ![]() | This class implements an implicit solvation force using the GBSA-OBC model |
![]() ![]() ![]() | This class implements an implicit solvation force using the GB/VI model |
![]() ![]() ![]() | This class implements an interaction between groups of three particles that varies harmonically with the angle between them |
![]() ![]() ![]() | This class implements an interaction between pairs of particles that varies harmonically with the distance between them |
![]() ![]() ![]() | An Integrator defines a method for simulating a System by integrating the equations of motion |
![]() ![]() ![]() | This is the internal implementation of AndersenThermostat |
![]() ![]() ![]() | This is the internal implementation of CMAPTorsionForce |
![]() ![]() ![]() | This is the internal implementation of CMMotionRemover |
![]() ![]() ![]() | This is the internal implementation of a Context |
![]() ![]() ![]() | This is the internal implementation of CustomAngleForce |
![]() ![]() ![]() | This is the internal implementation of CustomBondForce |
![]() ![]() ![]() | This is the internal implementation of CustomCompoundBondForce |
![]() ![]() ![]() | This is the internal implementation of CustomExternalForce |
![]() ![]() ![]() | This is the internal implementation of CustomGBForce |
![]() ![]() ![]() | This is the internal implementation of CustomHbondForce |
![]() ![]() ![]() | This is the internal implementation of CustomNonbondedForce |
![]() ![]() ![]() | This is the internal implementation of CustomTorsionForce |
![]() ![]() ![]() | A ForceImpl provides the internal implementation of a Force |
![]() ![]() ![]() | This is the internal implementation of GBSAOBCForce |
![]() ![]() ![]() | This is the internal implementation of GBVIForce |
![]() ![]() ![]() | This is the internal implementation of HarmonicAngleForce |
![]() ![]() ![]() | This is the internal implementation of HarmonicBondForce |
![]() ![]() ![]() | This is the internal implementation of MonteCarloBarostat |
![]() ![]() ![]() | This is the internal implementation of NonbondedForce |
![]() ![]() ![]() | This is the internal implementation of PeriodicTorsionForce |
![]() ![]() ![]() | This is the internal implementation of RBTorsionForce |
![]() ![]() ![]() | SplineFitter provides routines for performing cubic spline interpolation |
![]() ![]() ![]() | This is an Integrator which simulates a System using Langevin dynamics |
![]() ![]() ![]() | Given a Context, this class searches for a new set of particle positions that represent a local minimum of the potential energy |
![]() ![]() ![]() | This class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure |
![]() ![]() ![]() | 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 |
![]() ![]() ![]() | This class is used for all exceptions thrown by OpenMM |
![]() ![]() ![]() | This class implements an interaction between groups of four particles that varies periodically with the torsion angle between them |
![]() ![]() ![]() | This class implements an interaction between groups of four particles that varies with the torsion angle between them according to the Ryckaert-Bellemans potential |
![]() ![]() ![]() | A State object records a snapshot of the current state of a simulation at a point in time |
![]() ![]() ![]() | This class represents a molecular system |
![]() ![]() ![]() | This is an error contolled, variable time step Integrator that simulates a System using Langevin dynamics |
![]() ![]() ![]() | This is an error contolled, variable time step Integrator that simulates a System using the leap-frog Verlet algorithm |
![]() ![]() ![]() | This class represents a three component vector |
![]() ![]() ![]() | This is an Integrator which simulates a System using the leap-frog Verlet algorithm |
![]() ![]() ![]() | A VirtualSite describes the rules for computing a particle's position based on other particles |
![]() ![]() ![]() | This is a VirtualSite that computes the particle location as a weighted average of two other particle's locations |
![]() ![]() ![]() | This is a VirtualSite that computes the particle location as a weighted average of three other particle's locations |
![]() ![]() ![]() | This is a VirtualSite that computes the particle location based on three other particles' locations |
![]() ![]() ![]() | A Kernel encapsulates a particular implementation of a calculation that can be performed on the data in a Context |
![]() ![]() ![]() | A KernelFactory is an object that can create KernelImpls |
![]() ![]() ![]() | A KernelImpl defines the internal implementation of a Kernel object |
![]() ![]() ![]() | A Platform defines an implementation of all the kernels needed to perform some calculation |
![]() ![]() ![]() | XmlSerializer is used for serializing objects as XML, and for reconstructing them again |