SimTK::DuMM::NonbondAtomIndex Class Reference

This is the unique integer index that DuMM assigns to included atoms that are involved in nonbonded force calculations (Coulomb, van der Waals, and/or GBSA). These represent a subset of all the included atoms and you can map from a NonbondAtomIndex to the corresponding IncludedAtomIndex. More...

#include <DuMMForceFieldSubsystem.h>

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Detailed Description

This is the unique integer index that DuMM assigns to included atoms that are involved in nonbonded force calculations (Coulomb, van der Waals, and/or GBSA). These represent a subset of all the included atoms and you can map from a NonbondAtomIndex to the corresponding IncludedAtomIndex.

These are assigned during realizeTopology().

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The documentation for this class was generated from the following file:

• DuMMForceFieldSubsystem.h