conf-explorer.2008.07.23.cpp File Reference

#include "SimTKmolmodel.h"
#include "SimTKsimbody_aux.h"
#include "Ligands.h"
#include "Water.h"
#include "WaterDroplet.h"
#include <iostream>
#include <vector>

Functions
int	main (int argc, char *argv[])

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Function Documentation

int main	(	int	argc,
		char *	argv[]
	)

References CompoundSystem::adoptCompound(), Biopolymer::assignBiotypes(), Compound::createAtomTargets(), Compound::getNAtoms(), Compound::getNBonds(), Biopolymer::getNResidues(), CompoundSystem::getNumCompounds(), Integrator::getPreviousStepSizeTaken(), Biopolymer::getResidue(), Integrator::getState(), Compound::getTransformAndResidual(), DuMMForceFieldSubsystem::getUseMultithreadedComputation(), fkinkryx::i, TimeStepper::initialize(), Integrator::initialize(), Compound::matchDefaultAtomChirality(), Compound::matchDefaultBondAngles(), Compound::matchDefaultBondLengths(), Compound::matchDefaultDihedralAngles(), Compound::matchDefaultTopLevelTransform(), CompoundSystem::modelCompounds(), DuMMForceFieldSubsystem::populateFromTinkerParameterFile(), VTKVisualizer::report(), TransformAndResidual::residual, SimTK::BondMobility::Rigid, Compound::setBondMobility(), DuMMForceFieldSubsystem::setCoulombGlobalScaleFactor(), DuMMForceFieldSubsystem::setGbsaGlobalScaleFactor(), Compound::setPdbChainId(), Compound::setPdbResidueName(), Compound::setPdbResidueNumber(), DuMMForceFieldSubsystem::setUseMultithreadedComputation(), DuMMForceFieldSubsystem::setVdwGlobalScaleFactor(), Integrator::stepTo(), TimeStepper::stepTo(), CompoundSystem::updCompound(), Biopolymer::updResidue(), and Compound::writePdb().