Gromacs
2025-dev-20240906-b7d3419
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Implementation detail type for Atomproperties.
Public Attributes | |
bool | bWarned = false |
Should user be warned about error. | |
bool | bWarnVDW = false |
Should user be warned about vdW not found. | |
AtomProperty | prop [epropNR] |
The different atom properties. | |
ResidueTypeMap | residueTypeMap = residueTypeMapFromLibraryFile("residuetypes.dat") |
The residue types. | |