Here is a list of all class members with links to the classes they belong to:
- s -
- saveCheckpoint()
: Simulation
- saveState()
: Simulation
- segid
: CharmmCrdFile
- serialize()
: XmlSerializer
- serializeSystem
: XmlSerializer
- setAcceptorParameters()
: CustomHbondForce
- setAEwald()
: AmoebaMultipoleForce
- setAlpha()
: AMDIntegrator
- setAlphaGroup()
: AMDForceGroupIntegrator
, DualAMDIntegrator
- setAlphaTotal()
: DualAMDIntegrator
- setAmoebaGlobalAngleCubic()
: AmoebaAngleForce
- setAmoebaGlobalAnglePentic()
: AmoebaAngleForce
- setAmoebaGlobalAngleQuartic()
: AmoebaAngleForce
- setAmoebaGlobalAngleSextic()
: AmoebaAngleForce
- setAmoebaGlobalBondCubic()
: AmoebaBondForce
- setAmoebaGlobalBondQuartic()
: AmoebaBondForce
- setAmoebaGlobalInPlaneAngleCubic()
: AmoebaInPlaneAngleForce
- setAmoebaGlobalInPlaneAnglePentic()
: AmoebaInPlaneAngleForce
- setAmoebaGlobalInPlaneAngleQuartic()
: AmoebaInPlaneAngleForce
- setAmoebaGlobalInPlaneAngleSextic()
: AmoebaInPlaneAngleForce
- setAmoebaGlobalOutOfPlaneBendCubic()
: AmoebaOutOfPlaneBendForce
- setAmoebaGlobalOutOfPlaneBendPentic()
: AmoebaOutOfPlaneBendForce
- setAmoebaGlobalOutOfPlaneBendQuartic()
: AmoebaOutOfPlaneBendForce
- setAmoebaGlobalOutOfPlaneBendSextic()
: AmoebaOutOfPlaneBendForce
- setAngleParameters()
: AmoebaAngleForce
, AmoebaInPlaneAngleForce
, CustomAngleForce
, HarmonicAngleForce
- setApplyThermostat()
: RPMDIntegrator
- setAwater()
: AmoebaWcaDispersionForce
- setBondParameters()
: AmoebaBondForce
, CustomBondForce
, CustomCentroidBondForce
, CustomCompoundBondForce
, HarmonicBondForce
- setBox()
: CharmmPsfFile
- setComputedValueParameters()
: CustomGBForce
- setConstraintParameters()
: System
- setConstraintTolerance()
: Integrator
, CompoundIntegrator
- setCovalentMap()
: AmoebaMultipoleForce
- setCurrentIntegrator()
: CompoundIntegrator
- setCutoff()
: AmoebaVdwForce
- setCutoffDistance()
: AmoebaMultipoleForce
, CustomGBForce
, CustomHbondForce
, CustomManyParticleForce
, CustomNonbondedForce
, GBSAOBCForce
, NonbondedForce
- setDefaultCollisionFrequency()
: AndersenThermostat
- setDefaultPeriodicBoxVectors()
: System
- setDefaultPressure()
: MonteCarloAnisotropicBarostat
, MonteCarloBarostat
, MonteCarloMembraneBarostat
, RPMDMonteCarloBarostat
- setDefaultSurfaceTension()
: MonteCarloMembraneBarostat
- setDefaultTemperature()
: AndersenThermostat
- setDispoff()
: AmoebaWcaDispersionForce
- setDonorParameters()
: CustomHbondForce
- setDrudeFriction()
: DrudeLangevinIntegrator
- setDrudeTemperature()
: DrudeLangevinIntegrator
- setE()
: AMDIntegrator
- setEGroup()
: AMDForceGroupIntegrator
, DualAMDIntegrator
- setEnergyFunction()
: CustomAngleForce
, CustomBondForce
, CustomCentroidBondForce
, CustomCompoundBondForce
, CustomExternalForce
, CustomHbondForce
, CustomManyParticleForce
, CustomNonbondedForce
, CustomTorsionForce
- setEnergyTermParameters()
: CustomGBForce
- setEpsh()
: AmoebaWcaDispersionForce
- setEpsilonCombiningRule()
: AmoebaVdwForce
- setEpso()
: AmoebaWcaDispersionForce
- setErrorTolerance()
: VariableLangevinIntegrator
, VariableVerletIntegrator
- setETotal()
: DualAMDIntegrator
- setEwaldErrorTolerance()
: AmoebaMultipoleForce
, NonbondedForce
- setExceptionParameters()
: NonbondedForce
- setExclusionParticles()
: CustomGBForce
, CustomHbondForce
, CustomManyParticleForce
, CustomNonbondedForce
- setForceGroup()
: Force
- setFrequency()
: CMMotionRemover
, MonteCarloAnisotropicBarostat
, MonteCarloBarostat
, MonteCarloMembraneBarostat
, RPMDMonteCarloBarostat
- setFriction()
: BrownianIntegrator
, DrudeLangevinIntegrator
, LangevinIntegrator
, RPMDIntegrator
, VariableLangevinIntegrator
- setFunctionParameters()
: Continuous1DFunction
, Continuous2DFunction
, Continuous3DFunction
, CustomCompoundBondForce
, CustomGBForce
, CustomHbondForce
, CustomNonbondedForce
, Discrete1DFunction
, Discrete2DFunction
, Discrete3DFunction
- setGlobalParameterDefaultValue()
: CustomAngleForce
, CustomBondForce
, CustomCentroidBondForce
, CustomCompoundBondForce
, CustomExternalForce
, CustomGBForce
, CustomHbondForce
, CustomManyParticleForce
, CustomNonbondedForce
, CustomTorsionForce
- setGlobalParameterName()
: CustomHbondForce
, CustomManyParticleForce
, CustomNonbondedForce
, CustomTorsionForce
, CustomAngleForce
, CustomBondForce
, CustomCentroidBondForce
, CustomCompoundBondForce
, CustomExternalForce
, CustomGBForce
- setGlobalVariable()
: CustomIntegrator
- setGlobalVariableByName()
: CustomIntegrator
- setGroupParameters()
: CustomCentroidBondForce
- setIncludeCavityTerm()
: AmoebaGeneralizedKirkwoodForce
- setInteractionGroupParameters()
: CustomNonbondedForce
- setKineticEnergyExpression()
: CustomIntegrator
- setMapParameters()
: CMAPTorsionForce
- setMaxDrudeDistance()
: DrudeLangevinIntegrator
- setMinimizationErrorTolerance()
: DrudeSCFIntegrator
- setMultipoleParameters()
: AmoebaMultipoleForce
- setMutualInducedMaxIterations()
: AmoebaMultipoleForce
- setMutualInducedTargetEpsilon()
: AmoebaMultipoleForce
- setNonbondedMethod()
: NonbondedForce
, AmoebaMultipoleForce
, AmoebaVdwForce
, CustomGBForce
, CustomHbondForce
, CustomManyParticleForce
, CustomNonbondedForce
, GBSAOBCForce
- setOutOfPlaneBendParameters()
: AmoebaOutOfPlaneBendForce
- setParameter()
: Context
- setParticleExclusions()
: AmoebaVdwForce
- setParticleMass()
: System
- setParticleParameters()
: AmoebaGeneralizedKirkwoodForce
, AmoebaVdwForce
, AmoebaWcaDispersionForce
, CustomGBForce
, CustomManyParticleForce
, CustomNonbondedForce
, DrudeForce
, GBSAOBCForce
, NonbondedForce
, CustomExternalForce
- setPerAcceptorParameterName()
: CustomHbondForce
- setPerAngleParameterName()
: CustomAngleForce
- setPerBondParameterName()
: CustomBondForce
, CustomCentroidBondForce
, CustomCompoundBondForce
- setPerDofVariable()
: CustomIntegrator
- setPerDofVariableByName()
: CustomIntegrator
- setPerDonorParameterName()
: CustomHbondForce
- setPeriodicBoxVectors()
: Context
, Topology
- setPermutationMode()
: CustomManyParticleForce
- setPerParticleParameterName()
: CustomExternalForce
, CustomGBForce
, CustomManyParticleForce
, CustomNonbondedForce
- setPerTorsionParameterName()
: CustomTorsionForce
- setPiTorsionParameters()
: AmoebaPiTorsionForce
- setPmeGridDimensions()
: AmoebaMultipoleForce
- setPMEParameters()
: NonbondedForce
- setPolarizationType()
: AmoebaMultipoleForce
- setPositions()
: Context
, RPMDIntegrator
- setProbeRadius()
: AmoebaGeneralizedKirkwoodForce
- setPropertyDefaultValue()
: Platform
- setPropertyValue()
: Platform
- setRandomNumberSeed()
: LangevinIntegrator
, MonteCarloBarostat
, MonteCarloMembraneBarostat
, BrownianIntegrator
, CustomIntegrator
, DrudeLangevinIntegrator
, MonteCarloAnisotropicBarostat
, RPMDMonteCarloBarostat
, AndersenThermostat
, VariableLangevinIntegrator
, RPMDIntegrator
- setReactionFieldDielectric()
: NonbondedForce
- setReciprocalSpaceForceGroup()
: NonbondedForce
- setRminh()
: AmoebaWcaDispersionForce
- setRmino()
: AmoebaWcaDispersionForce
- setScreenedPairParameters()
: DrudeForce
- setShctd()
: AmoebaWcaDispersionForce
- setSigmaCombiningRule()
: AmoebaVdwForce
- setSlevy()
: AmoebaWcaDispersionForce
- setSoluteDielectric()
: GBSAOBCForce
, AmoebaGeneralizedKirkwoodForce
- setSolventDielectric()
: AmoebaGeneralizedKirkwoodForce
, GBSAOBCForce
- setState()
: Context
- setStepSize()
: CompoundIntegrator
, Integrator
- setStretchBendParameters()
: AmoebaStretchBendForce
- setSurfaceAreaEnergy()
: GBSAOBCForce
- setSurfaceAreaFactor()
: AmoebaGeneralizedKirkwoodForce
- setSwitchingDistance()
: CustomNonbondedForce
, NonbondedForce
- setTemperature()
: BrownianIntegrator
, VariableLangevinIntegrator
, DrudeLangevinIntegrator
, MonteCarloMembraneBarostat
, LangevinIntegrator
, MonteCarloBarostat
, RPMDIntegrator
, MonteCarloAnisotropicBarostat
- setTime()
: Context
- setTorsionParameters()
: PeriodicTorsionForce
, CustomTorsionForce
, RBTorsionForce
, CMAPTorsionForce
- setTorsionTorsionGrid()
: AmoebaTorsionTorsionForce
- setTorsionTorsionParameters()
: AmoebaTorsionTorsionForce
- setTypeFilter()
: CustomManyParticleForce
- setUnitCellDimensions()
: Topology
- setUseDispersionCorrection()
: AmoebaVdwForce
, NonbondedForce
- setUseLongRangeCorrection()
: CustomNonbondedForce
- setUseSwitchingFunction()
: NonbondedForce
, CustomNonbondedForce
- setVelocities()
: RPMDIntegrator
, Context
- setVelocitiesToTemperature()
: Context
- setVirtualSite()
: System
- setXYMode()
: MonteCarloMembraneBarostat
- setZMode()
: MonteCarloMembraneBarostat
- SingleParticle
: CustomGBForce
- SinglePermutation
: CustomManyParticleForce
- state
: RPMDIntegrator
, Context
- step()
: DrudeSCFIntegrator
, CustomIntegrator
, Simulation
, VariableVerletIntegrator
, BrownianIntegrator
, RPMDIntegrator
, VerletIntegrator
, CompoundIntegrator
, Integrator
, DrudeLangevinIntegrator
, VariableLangevinIntegrator
, LangevinIntegrator
- stepTo()
: VariableLangevinIntegrator
, VariableVerletIntegrator
- supportsDoublePrecision()
: Platform
- supportsKernels()
: Platform
- SurfaceTension
: MonteCarloMembraneBarostat
- symbol()
: Element
- system
: Simulation
, CharmmPsfFile