Classes
class	SwigPyIterator

class	State
	A State object records a snapshot of the current state of a simulation at a point in time. More...

class	Force
	Force objects apply forces to the particles in a System, or alter their behavior in other ways. More...

class	AmoebaAngleForce
	This class implements an interaction between triplets of particles that varies with the angle between them. More...

class	AmoebaBondForce
	This class implements an interaction between pairs of particles that varies with the distance between them. More...

class	AmoebaGeneralizedKirkwoodForce
	This class implements an implicit solvation force using the generalized Kirkwood/Grycuk model. More...

class	AmoebaInPlaneAngleForce
	This class implements an interaction at trigonal centers corresponding to the projected in-plane angle bend energy between four particles. More...

class	AmoebaMultipoleForce
	This class implements the Amoeba multipole interaction. More...

class	AmoebaOutOfPlaneBendForce
	This class implements the Amoeba out-of-plane bend interaction. More...

class	AmoebaPiTorsionForce
	This class implements the Amoeba pi-torsion interaction. More...

class	AmoebaStretchBendForce
	This class implements the Amoeba stretch-bend interaction. More...

class	AmoebaTorsionTorsionForce
	This class implements the Amoeba torsion-torsion interaction. More...

class	AmoebaVdwForce
	This class implements a buffered 14-7 potential used to model van der Waals forces. More...

class	AmoebaWcaDispersionForce
	This class implements a nonbonded interaction between pairs of particles typically used along with AmoebaGeneralizedKirkwoodForce as part of an implicit solvent model. More...

class	AndersenThermostat
	This class uses the Andersen method to maintain constant temperature. More...

class	Integrator
	An Integrator defines a method for simulating a System by integrating the equations of motion. More...

class	BrownianIntegrator
	This is an Integrator which simulates a System using Brownian dynamics. More...

class	CMAPTorsionForce
	This class implements an interaction between pairs of dihedral angles. More...

class	CMMotionRemover
	This class prevents the center of mass of a System from drifting. More...

class	Context
	A Context stores the complete state of a simulation. More...

class	CustomAngleForce
	This class implements interactions between sets of three particles that depend on the angle between them. More...

class	CustomBondForce
	This class implements bonded interactions between pairs of particles. More...

class	CustomCompoundBondForce
	This class supports a wide variety of bonded interactions. More...

class	CustomExternalForce
	This class implements an "external" force on particles. More...

class	CustomGBForce
	This class implements complex, multiple stage nonbonded interactions between particles. More...

class	CustomHbondForce
	This class supports a wide variety of energy functions used to represent hydrogen bonding. More...

class	CustomIntegrator
	This is an Integrator that can be used to implemented arbitrary, user defined integration algorithms. More...

class	CustomNonbondedForce
	This class implements nonbonded interactions between particles. More...

class	CustomTorsionForce
	This class implements interactions between sets of four particles that depend on the torsion angle between them. More...

class	GBSAOBCForce
	This class implements an implicit solvation force using the GBSA-OBC model. More...

class	GBVIForce
	This class implements an implicit solvation force using the GB/VI model. More...

class	HarmonicAngleForce
	This class implements an interaction between groups of three particles that varies harmonically with the angle between them. More...

class	HarmonicBondForce
	This class implements an interaction between pairs of particles that varies harmonically with the distance between them. More...

class	LangevinIntegrator
	This is an Integrator which simulates a System using Langevin dynamics. More...

class	LocalEnergyMinimizer
	Given a Context, this class searches for a new set of particle positions that represent a local minimum of the potential energy. More...

class	MonteCarloBarostat
	This class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure. More...

class	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. More...

class	OpenMMException
	This class is used for all exceptions thrown by OpenMM. More...

class	VirtualSite
	A VirtualSite describes the rules for computing a particle's position based on other particles. More...

class	OutOfPlaneSite
	This is a VirtualSite that computes the particle location based on three other particles' locations. More...

class	PeriodicTorsionForce
	This class implements an interaction between groups of four particles that varies periodically with the torsion angle between them. More...

class	Platform
	A Platform defines an implementation of all the kernels needed to perform some calculation. More...

class	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. More...

class	RPMDIntegrator
	This is an Integrator which simulates a System using ring polymer molecular dynamics (RPMD). More...

class	SerializationNode
	A SerializationNode stores information about an object during serialization or deserialization.

class	SerializationProxy
	A SerializationProxy is an object that knows how to serialize and deserialize objects of a particular type.

class	System
	This class represents a molecular system. More...

class	ThreeParticleAverageSite
	This is a VirtualSite that computes the particle location as a weighted average of three other particle's locations. More...

class	TwoParticleAverageSite
	This is a VirtualSite that computes the particle location as a weighted average of two other particle's locations. More...

class	VariableLangevinIntegrator
	This is an error contolled, variable time step Integrator that simulates a System using Langevin dynamics. More...

class	VariableVerletIntegrator
	This is an error contolled, variable time step Integrator that simulates a System using the leap-frog Verlet algorithm. More...

class	VerletIntegrator
	This is an Integrator which simulates a System using the leap-frog Verlet algorithm. More...

class	XmlSerializer
	XmlSerializer is used for serializing objects as XML, and for reconstructing them again. More...

Functions
def	swig_import_helper

def	ios_base_sync_with_stdio

def	ios_base_xalloc

def	endl

def	ends

def	flush

def	stripUnits
	getState(self, quantity) -> value with no units

def	AndersenThermostat_Temperature
	AndersenThermostat_Temperature() -> std::string const &.

def	AndersenThermostat_CollisionFrequency
	AndersenThermostat_CollisionFrequency() -> std::string const &.

def	LocalEnergyMinimizer_minimize
	minimize(Context context, double tolerance=1, int maxIterations=0) minimize(Context context, double tolerance=1) LocalEnergyMinimizer_minimize(Context context)

def	MonteCarloBarostat_Pressure
	MonteCarloBarostat_Pressure() -> std::string const &.

def	Platform_registerPlatform
	Platform_registerPlatform(Platform platform)

def	Platform_getNumPlatforms
	Platform_getNumPlatforms() -> int.

def	Platform_getPlatform
	Platform_getPlatform(int index) -> Platform.

def	Platform_getPlatformByName
	Platform_getPlatformByName(std::string const & name) -> Platform.

def	Platform_findPlatform
	Platform_findPlatform(vectorstring kernelNames) -> Platform.

def	Platform_loadPluginLibrary
	Platform_loadPluginLibrary(std::string const & file)

def	Platform_loadPluginsFromDirectory
	Platform_loadPluginsFromDirectory(std::string const & directory) -> vectorstring.

def	Platform_getDefaultPluginsDirectory
	Platform_getDefaultPluginsDirectory() -> std::string const &.

def	Platform_getOpenMMVersion
	Platform_getOpenMMVersion() -> std::string const &.

def	SerializationProxy_registerProxy
	SerializationProxy_registerProxy(std::type_info const & type, SerializationProxy proxy)

def	SerializationProxy_getProxy
	getProxy(std::string const & typeName) -> SerializationProxy SerializationProxy_getProxy(std::type_info const & type) -> SerializationProxy

def	XmlSerializer_serializeSystem
	XmlSerializer_serializeSystem(System object) -> std::string.

def	XmlSerializer_deserializeSystem
	XmlSerializer_deserializeSystem(char const * inputString) -> System.

def	XmlSerializer__serializeForce
	XmlSerializer__serializeForce(Force object) -> std::string.

def	XmlSerializer__deserializeForce
	XmlSerializer__deserializeForce(char const * inputString) -> Force.

def	XmlSerializer__serializeIntegrator
	XmlSerializer__serializeIntegrator(Integrator object) -> std::string.

def	XmlSerializer__deserializeIntegrator
	XmlSerializer__deserializeIntegrator(char const * inputString) -> Integrator.

def	XmlSerializer__serializeStateAsLists
	XmlSerializer__serializeStateAsLists(std::vector< Vec3,std::allocator< Vec3 > > const & pos, std::vector< Vec3,std::allocator< Vec3 > > const & vel, std::vector< Vec3,std::allocator< Vec3 > > const & forces, double kineticEnergy, double potentialEnergy, double time, std::vector< Vec3,std::allocator< Vec3 > > const & boxVectors, mapstringdouble params, int types) -> std::string.

def	XmlSerializer__deserializeStringIntoLists
	XmlSerializer__deserializeStringIntoLists(std::string const & stateAsString) -> PyObject *.

Variables
tuple	_openmm swig_import_helper()

int	_newclass 0

	ios_base_swigregister _openmm.ios_base_swigregister

	cvar _openmm.cvar

	ios_base_sync_with_stdio _openmm.ios_base_sync_with_stdio

	ios_base_xalloc _openmm.ios_base_xalloc

	ios_swigregister _openmm.ios_swigregister

	ostream_swigregister _openmm.ostream_swigregister

	cin cvar.cin

	cout cvar.cout

	cerr cvar.cerr

	clog cvar.clog

	istream_swigregister _openmm.istream_swigregister

	iostream_swigregister _openmm.iostream_swigregister

	endl_cb_ptr _openmm.endl_cb_ptr

	endl _openmm.endl

	ends_cb_ptr _openmm.ends_cb_ptr

	ends _openmm.ends

	flush_cb_ptr _openmm.flush_cb_ptr

	flush _openmm.flush

	SwigPyIterator_swigregister _openmm.SwigPyIterator_swigregister

	pairii_swigregister _openmm.pairii_swigregister

	vectord_swigregister _openmm.vectord_swigregister

	vectorddd_swigregister _openmm.vectorddd_swigregister

	vectori_swigregister _openmm.vectori_swigregister

	vectorii_swigregister _openmm.vectorii_swigregister

	vectorpairii_swigregister _openmm.vectorpairii_swigregister

	vectorstring_swigregister _openmm.vectorstring_swigregister

	mapstringstring_swigregister _openmm.mapstringstring_swigregister

	mapstringdouble_swigregister _openmm.mapstringdouble_swigregister

tuple	RMIN_PER_SIGMA math.pow(2, 1/6.0)

tuple	RVDW_PER_SIGMA math.pow(2, 1/6.0)

	Force_swigregister _openmm.Force_swigregister

	NmPerAngstrom cvar.NmPerAngstrom

	AngstromsPerNm cvar.AngstromsPerNm

	PsPerFs cvar.PsPerFs

	FsPerPs cvar.FsPerPs

	KJPerKcal cvar.KJPerKcal

	KcalPerKJ cvar.KcalPerKJ

	RadiansPerDegree cvar.RadiansPerDegree

	DegreesPerRadian cvar.DegreesPerRadian

	SigmaPerVdwRadius cvar.SigmaPerVdwRadius

	VdwRadiusPerSigma cvar.VdwRadiusPerSigma

	AmoebaAngleForce_swigregister _openmm.AmoebaAngleForce_swigregister

	AmoebaBondForce_swigregister _openmm.AmoebaBondForce_swigregister

	AmoebaGeneralizedKirkwoodForce_swigregister _openmm.AmoebaGeneralizedKirkwoodForce_swigregister

	AmoebaInPlaneAngleForce_swigregister _openmm.AmoebaInPlaneAngleForce_swigregister

	AmoebaMultipoleForce_swigregister _openmm.AmoebaMultipoleForce_swigregister

	AmoebaOutOfPlaneBendForce_swigregister _openmm.AmoebaOutOfPlaneBendForce_swigregister

	AmoebaPiTorsionForce_swigregister _openmm.AmoebaPiTorsionForce_swigregister

	AmoebaStretchBendForce_swigregister _openmm.AmoebaStretchBendForce_swigregister

	AmoebaTorsionTorsionForce_swigregister _openmm.AmoebaTorsionTorsionForce_swigregister

	AmoebaVdwForce_swigregister _openmm.AmoebaVdwForce_swigregister

	AmoebaWcaDispersionForce_swigregister _openmm.AmoebaWcaDispersionForce_swigregister

	AndersenThermostat_swigregister _openmm.AndersenThermostat_swigregister

	Integrator_swigregister _openmm.Integrator_swigregister

	BrownianIntegrator_swigregister _openmm.BrownianIntegrator_swigregister

	CMAPTorsionForce_swigregister _openmm.CMAPTorsionForce_swigregister

	CMMotionRemover_swigregister _openmm.CMMotionRemover_swigregister

	Context_swigregister _openmm.Context_swigregister

	CustomAngleForce_swigregister _openmm.CustomAngleForce_swigregister

	CustomBondForce_swigregister _openmm.CustomBondForce_swigregister

	CustomCompoundBondForce_swigregister _openmm.CustomCompoundBondForce_swigregister

	CustomExternalForce_swigregister _openmm.CustomExternalForce_swigregister

	CustomGBForce_swigregister _openmm.CustomGBForce_swigregister

	CustomHbondForce_swigregister _openmm.CustomHbondForce_swigregister

	CustomIntegrator_swigregister _openmm.CustomIntegrator_swigregister

	CustomNonbondedForce_swigregister _openmm.CustomNonbondedForce_swigregister

	CustomTorsionForce_swigregister _openmm.CustomTorsionForce_swigregister

	GBSAOBCForce_swigregister _openmm.GBSAOBCForce_swigregister

	GBVIForce_swigregister _openmm.GBVIForce_swigregister

	HarmonicAngleForce_swigregister _openmm.HarmonicAngleForce_swigregister

	HarmonicBondForce_swigregister _openmm.HarmonicBondForce_swigregister

	LangevinIntegrator_swigregister _openmm.LangevinIntegrator_swigregister

	LocalEnergyMinimizer_swigregister _openmm.LocalEnergyMinimizer_swigregister

	MonteCarloBarostat_swigregister _openmm.MonteCarloBarostat_swigregister

	NonbondedForce_swigregister _openmm.NonbondedForce_swigregister

	OpenMMException_swigregister _openmm.OpenMMException_swigregister

	VirtualSite_swigregister _openmm.VirtualSite_swigregister

	OutOfPlaneSite_swigregister _openmm.OutOfPlaneSite_swigregister

	PeriodicTorsionForce_swigregister _openmm.PeriodicTorsionForce_swigregister

	Platform_swigregister _openmm.Platform_swigregister

	RBTorsionForce_swigregister _openmm.RBTorsionForce_swigregister

	RPMDIntegrator_swigregister _openmm.RPMDIntegrator_swigregister

	SerializationNode_swigregister _openmm.SerializationNode_swigregister

	SerializationProxy_swigregister _openmm.SerializationProxy_swigregister

	System_swigregister _openmm.System_swigregister

	ThreeParticleAverageSite_swigregister _openmm.ThreeParticleAverageSite_swigregister

	TwoParticleAverageSite_swigregister _openmm.TwoParticleAverageSite_swigregister

	VariableLangevinIntegrator_swigregister _openmm.VariableLangevinIntegrator_swigregister

	VariableVerletIntegrator_swigregister _openmm.VariableVerletIntegrator_swigregister

	VerletIntegrator_swigregister _openmm.VerletIntegrator_swigregister

	XmlSerializer_swigregister _openmm.XmlSerializer_swigregister

Function Documentation

def simtk.openmm.openmm.AndersenThermostat_CollisionFrequency ( )

AndersenThermostat_CollisionFrequency() -> std::string const &.

This is the name of the parameter which store the current collision frequency (in 1/ps).

def simtk.openmm.openmm.AndersenThermostat_Temperature ( )

AndersenThermostat_Temperature() -> std::string const &.

This is the name of the parameter which stores the current temperature of the heat bath (in Kelvin).

def simtk.openmm.openmm.endl ( args )

def simtk.openmm.openmm.ends ( args )

def simtk.openmm.openmm.flush ( args )

def simtk.openmm.openmm.ios_base_sync_with_stdio ( __sync = True )

def simtk.openmm.openmm.ios_base_xalloc ( )

def simtk.openmm.openmm.LocalEnergyMinimizer_minimize ( args )

minimize(Context context, double tolerance=1, int maxIterations=0) minimize(Context context, double tolerance=1) LocalEnergyMinimizer_minimize(Context context)

Search for a new set of particle positions that represent a local potential energy minimum. On exit, the Context will have been updated with the new positions.

Parameters

context	a Context specifying the System to minimize and the initial particle positions
tolerance	this specifies how precisely the energy minimum must be located. Minimization will be halted once the root-mean-square value of all force components reaches this tolerance. The default value is 1.
maxIterations	the maximum number of iterations to perform. If this is 0, minimation is continued until the results converge without regard to how many iterations it takes. The default value is 0.

def simtk.openmm.openmm.MonteCarloBarostat_Pressure ( )

MonteCarloBarostat_Pressure() -> std::string const &.

This is the name of the parameter which stores the current pressure acting on the system (in bar).

def simtk.openmm.openmm.Platform_findPlatform ( args )

Platform_findPlatform(vectorstring kernelNames) -> Platform.

Find a Platform which can be used to perform a calculation.

Parameters

kernelNames the names of all kernels which will be needed for the calculation

def simtk.openmm.openmm.Platform_getDefaultPluginsDirectory ( )

Platform_getDefaultPluginsDirectory() -> std::string const &.

Get the default directory from which to load plugins. If the environment variable OPENMM_PLUGIN_DIR is set, this returns its value. Otherwise, it returns a platform specific default location.

def simtk.openmm.openmm.Platform_getNumPlatforms ( )

Platform_getNumPlatforms() -> int.

Get the number of Platforms that have been registered.

def simtk.openmm.openmm.Platform_getOpenMMVersion ( )

Platform_getOpenMMVersion() -> std::string const &.

Get a string containing the version number of the OpenMM library.

def simtk.openmm.openmm.Platform_getPlatform ( args )

Platform_getPlatform(int index) -> Platform.

Get a registered Platform by index.

def simtk.openmm.openmm.Platform_getPlatformByName ( args )

Platform_getPlatformByName(std::string const & name) -> Platform.

Get the registered Platform with a particular name. If no Platform with that name has been registered, this throws an exception.

def simtk.openmm.openmm.Platform_loadPluginLibrary ( args )

Platform_loadPluginLibrary(std::string const & file)

Load a dynamic library (DLL) which contains an OpenMM plugin. Typically, each Platform is distributed as a separate dynamic library. This method can then be called at runtime to load each available library. Each library should contain an initializer function to register any Platforms and KernelFactories that it contains.

If the file does not exist or cannot be loaded, an exception is thrown.

Parameters

file	the path to the dynamic library file. This is interpreted using the operating system's rules for loading libraries. Typically it may be either an absolute path or relative to a set of standard locations.

def simtk.openmm.openmm.Platform_loadPluginsFromDirectory ( args )

Platform_loadPluginsFromDirectory(std::string const & directory) -> vectorstring.

Load multiple dynamic libraries (DLLs) which contain OpenMM plugins from a single directory. This method loops over every file contained in the specified directory and calls loadPluginLibrary() for each one. If an error occurs while trying to load a particular file, that file is simply ignored.

Parameters

directory the path to the directory containing libraries to load

def simtk.openmm.openmm.Platform_registerPlatform ( args )

Platform_registerPlatform(Platform platform)

Register a new Platform.

def simtk.openmm.openmm.SerializationProxy_getProxy ( args )

getProxy(std::string const & typeName) -> SerializationProxy SerializationProxy_getProxy(std::type_info const & type) -> SerializationProxy

Get the SerializationProxy to use for objects of a particular type, specified by type_info.

Parameters

type	the type_info of the object type to get a proxy for

def simtk.openmm.openmm.SerializationProxy_registerProxy ( args )

SerializationProxy_registerProxy(std::type_info const & type, SerializationProxy proxy)

Register a SerializationProxy to be used for objects of a particular type.

Parameters

type	the type_info for the object type
proxy	the proxy to use for objects of the specified type

def simtk.openmm.openmm.stripUnits ( args )

getState(self, quantity) -> value with no units

Examples

import simtk

x = 5 print x

5

x = stripUnits((5*simtk.unit.nanometer,)) x

(5,)

arg1 = 5*simtk.unit.angstrom x = stripUnits((arg1,)) x

(0.5,)

arg1 = 5 x = stripUnits((arg1,)) x

(5,)

arg1 = (1*simtk.unit.angstrom, 5*simtk.unit.angstrom) x = stripUnits((arg1,)) x

((0.10000000000000001, 0.5),)

arg1 = (1*simtk.unit.angstrom,

... 5*simtk.unit.kilojoule_per_mole, ... 1*simtk.unit.kilocalorie_per_mole)

y = stripUnits((arg1,)) y

((0.10000000000000001, 5, 4.1840000000000002),)

def simtk.openmm.openmm.swig_import_helper ( )

def simtk.openmm.openmm.XmlSerializer__deserializeForce ( args )

XmlSerializer__deserializeForce(char const * inputString) -> Force.

def simtk.openmm.openmm.XmlSerializer__deserializeIntegrator ( args )

XmlSerializer__deserializeIntegrator(char const * inputString) -> Integrator.

def simtk.openmm.openmm.XmlSerializer__deserializeStringIntoLists ( args )

XmlSerializer__deserializeStringIntoLists(std::string const & stateAsString) -> PyObject *.

def simtk.openmm.openmm.XmlSerializer__serializeForce ( args )

XmlSerializer__serializeForce(Force object) -> std::string.

def simtk.openmm.openmm.XmlSerializer__serializeIntegrator ( args )

XmlSerializer__serializeIntegrator(Integrator object) -> std::string.

def simtk.openmm.openmm.XmlSerializer__serializeStateAsLists ( args )

XmlSerializer__serializeStateAsLists(std::vector< Vec3,std::allocator< Vec3 > > const & pos, std::vector< Vec3,std::allocator< Vec3 > > const & vel, std::vector< Vec3,std::allocator< Vec3 > > const & forces, double kineticEnergy, double potentialEnergy, double time, std::vector< Vec3,std::allocator< Vec3 > > const & boxVectors, mapstringdouble params, int types) -> std::string.

def simtk.openmm.openmm.XmlSerializer_deserializeSystem ( args )

XmlSerializer_deserializeSystem(char const * inputString) -> System.

This method exists only for backward compatibility.

Deprecated:: Use deserialize() instead.

def simtk.openmm.openmm.XmlSerializer_serializeSystem ( args )

XmlSerializer_serializeSystem(System object) -> std::string.

This method exists only for backward compatibility.

Deprecated:: Use serialize() instead.

Variable Documentation

int _newclass 0

tuple _openmm swig_import_helper()

AmoebaAngleForce_swigregister _openmm.AmoebaAngleForce_swigregister

AmoebaBondForce_swigregister _openmm.AmoebaBondForce_swigregister

AmoebaGeneralizedKirkwoodForce_swigregister _openmm.AmoebaGeneralizedKirkwoodForce_swigregister

AmoebaInPlaneAngleForce_swigregister _openmm.AmoebaInPlaneAngleForce_swigregister

AmoebaMultipoleForce_swigregister _openmm.AmoebaMultipoleForce_swigregister

AmoebaOutOfPlaneBendForce_swigregister _openmm.AmoebaOutOfPlaneBendForce_swigregister

AmoebaPiTorsionForce_swigregister _openmm.AmoebaPiTorsionForce_swigregister

AmoebaStretchBendForce_swigregister _openmm.AmoebaStretchBendForce_swigregister

AmoebaTorsionTorsionForce_swigregister _openmm.AmoebaTorsionTorsionForce_swigregister

AmoebaVdwForce_swigregister _openmm.AmoebaVdwForce_swigregister

AmoebaWcaDispersionForce_swigregister _openmm.AmoebaWcaDispersionForce_swigregister

AndersenThermostat_swigregister _openmm.AndersenThermostat_swigregister

AngstromsPerNm cvar.AngstromsPerNm

BrownianIntegrator_swigregister _openmm.BrownianIntegrator_swigregister

cerr cvar.cerr

cin cvar.cin

clog cvar.clog

CMAPTorsionForce_swigregister _openmm.CMAPTorsionForce_swigregister

CMMotionRemover_swigregister _openmm.CMMotionRemover_swigregister

Context_swigregister _openmm.Context_swigregister

cout cvar.cout

CustomAngleForce_swigregister _openmm.CustomAngleForce_swigregister

CustomBondForce_swigregister _openmm.CustomBondForce_swigregister

CustomCompoundBondForce_swigregister _openmm.CustomCompoundBondForce_swigregister

CustomExternalForce_swigregister _openmm.CustomExternalForce_swigregister

CustomGBForce_swigregister _openmm.CustomGBForce_swigregister

CustomHbondForce_swigregister _openmm.CustomHbondForce_swigregister

CustomIntegrator_swigregister _openmm.CustomIntegrator_swigregister

CustomNonbondedForce_swigregister _openmm.CustomNonbondedForce_swigregister

CustomTorsionForce_swigregister _openmm.CustomTorsionForce_swigregister

cvar _openmm.cvar

DegreesPerRadian cvar.DegreesPerRadian

endl _openmm.endl

endl_cb_ptr _openmm.endl_cb_ptr

ends _openmm.ends

ends_cb_ptr _openmm.ends_cb_ptr

flush _openmm.flush

flush_cb_ptr _openmm.flush_cb_ptr

Force_swigregister _openmm.Force_swigregister

FsPerPs cvar.FsPerPs

GBSAOBCForce_swigregister _openmm.GBSAOBCForce_swigregister

GBVIForce_swigregister _openmm.GBVIForce_swigregister

HarmonicAngleForce_swigregister _openmm.HarmonicAngleForce_swigregister

HarmonicBondForce_swigregister _openmm.HarmonicBondForce_swigregister

Integrator_swigregister _openmm.Integrator_swigregister

ios_base_swigregister _openmm.ios_base_swigregister

ios_base_sync_with_stdio _openmm.ios_base_sync_with_stdio

ios_base_xalloc _openmm.ios_base_xalloc

ios_swigregister _openmm.ios_swigregister

iostream_swigregister _openmm.iostream_swigregister

istream_swigregister _openmm.istream_swigregister

KcalPerKJ cvar.KcalPerKJ

KJPerKcal cvar.KJPerKcal

LangevinIntegrator_swigregister _openmm.LangevinIntegrator_swigregister

LocalEnergyMinimizer_swigregister _openmm.LocalEnergyMinimizer_swigregister

mapstringdouble_swigregister _openmm.mapstringdouble_swigregister

mapstringstring_swigregister _openmm.mapstringstring_swigregister

MonteCarloBarostat_swigregister _openmm.MonteCarloBarostat_swigregister

NmPerAngstrom cvar.NmPerAngstrom

NonbondedForce_swigregister _openmm.NonbondedForce_swigregister

OpenMMException_swigregister _openmm.OpenMMException_swigregister

ostream_swigregister _openmm.ostream_swigregister

OutOfPlaneSite_swigregister _openmm.OutOfPlaneSite_swigregister

pairii_swigregister _openmm.pairii_swigregister

PeriodicTorsionForce_swigregister _openmm.PeriodicTorsionForce_swigregister

Platform_swigregister _openmm.Platform_swigregister

PsPerFs cvar.PsPerFs

RadiansPerDegree cvar.RadiansPerDegree

RBTorsionForce_swigregister _openmm.RBTorsionForce_swigregister

tuple RMIN_PER_SIGMA math.pow(2, 1/6.0)

RPMDIntegrator_swigregister _openmm.RPMDIntegrator_swigregister

tuple RVDW_PER_SIGMA math.pow(2, 1/6.0)

SerializationNode_swigregister _openmm.SerializationNode_swigregister

SerializationProxy_swigregister _openmm.SerializationProxy_swigregister

SigmaPerVdwRadius cvar.SigmaPerVdwRadius

SwigPyIterator_swigregister _openmm.SwigPyIterator_swigregister

System_swigregister _openmm.System_swigregister

ThreeParticleAverageSite_swigregister _openmm.ThreeParticleAverageSite_swigregister

TwoParticleAverageSite_swigregister _openmm.TwoParticleAverageSite_swigregister

VariableLangevinIntegrator_swigregister _openmm.VariableLangevinIntegrator_swigregister

VariableVerletIntegrator_swigregister _openmm.VariableVerletIntegrator_swigregister

VdwRadiusPerSigma cvar.VdwRadiusPerSigma

vectord_swigregister _openmm.vectord_swigregister

vectorddd_swigregister _openmm.vectorddd_swigregister

vectori_swigregister _openmm.vectori_swigregister

vectorii_swigregister _openmm.vectorii_swigregister

vectorpairii_swigregister _openmm.vectorpairii_swigregister

vectorstring_swigregister _openmm.vectorstring_swigregister

VerletIntegrator_swigregister _openmm.VerletIntegrator_swigregister

VirtualSite_swigregister _openmm.VirtualSite_swigregister

XmlSerializer_swigregister _openmm.XmlSerializer_swigregister

Classes

Functions

Variables

Function Documentation

Variable Documentation