DuMMForceFieldSubsystem.h File Reference

Define the public interface to DuMMForceFieldSubsystem, a subsystem which provides molecular mechanics capability in a multibody framework. More...

#include "SimTKcommon.h"
#include "simbody/internal/ForceSubsystem.h"
#include "molmodel/internal/common.h"
#include "molmodel/internal/Biotype.h"
#include <cassert>

Go to the source code of this file.

Classes
class	CustomBondStretch
	Abstract base class for custom bond stretch terms, that is, functional forms that apply a distance-based force along a 1-2 bond between a pair of atoms. More...
class	CustomBondBend
	Abstract base class for custom bond bend functions, that is, functional forms that apply an angle-based torque between the two lines formed by a 1-2-3 triple of bonded atoms. More...
class	CustomBondTorsion
	Abstract base class for custom torsion functions, that is, functional forms that apply a dihedral-angle based torque about the middle bond of a 1-2-3-4 quadruple of bonded atoms. More...
class	DuMMForceFieldSubsystem
	This is a concrete subsystem that provides basic molecular mechanics functionality for coarse-grained molecules built in the SimTK framework. More...
class	Amber99ForceSubsystem
	This class is just a DuMMForceFieldSubsystem for which the constructor pre-loads the definitions of the Amber99 force field. More...
Namespaces
namespace	SimTK
	This is the top-level SimTK namespace into which all SimTK names are placed to avoid collision with other symbols.
namespace	SimTK::DuMM
	This namespace is used for symbols which are useful in conjunction with Molmodel's DuMMForceFieldSubsystem.
Functions
	SimTK_DEFINE_UNIQUE_INDEX_TYPE (AtomIndex)
	SimTK_DEFINE_UNIQUE_INDEX_TYPE (AtomClassIndex)
	SimTK_DEFINE_UNIQUE_INDEX_TYPE (ChargedAtomTypeIndex)
	SimTK_DEFINE_UNIQUE_INDEX_TYPE (BondIndex)
	SimTK_DEFINE_UNIQUE_INDEX_TYPE (ClusterIndex)

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Detailed Description

Define the public interface to DuMMForceFieldSubsystem, a subsystem which provides molecular mechanics capability in a multibody framework.