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Gromacs
2026.0-dev-20251119-5f0a571d
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A structure for the input atom data, which depends in size on atom count.
Public Attributes | |
| GridLineIndicesVector | gridLineIndices |
| Gridline indices. | |
| ChargesVector | charges |
| Charges. | |
| CoordinatesVector | coordinates |
| Coordinates. | |
1.8.5