Gromacs
2026.0-dev-20241204-d69d709
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Container for returning molecule type and index information for an atom.
Public Attributes | |
int | molblockIndex |
The index into the molecule block array. | |
int | moleculeType |
The molecule type. | |
int | moleculeIndex |
The index of the molecule in the molecule block. | |
int | atomIndexInMolecule |
The index of the atom in the molecule. | |