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Gromacs
2026.0-dev-20251110-920b6d1
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Parameters of one pull coordinate.
Public Attributes | |
| PullingAlgorithm | pull_type |
| such as constraint, umbrella, ... | |
| PullGroupGeometry | geometry |
| such as distance, direction, cylinder | |
| int | ngroup |
| the number of pull groups involved | |
| ivec | dim |
| pull dimension with geometry distance | |
| int | ndim |
| nr of pull_dim != 0 | |
| real | k |
| force constants in tpr file | |
| real | init_dist |
| reference displacement | |
| char | coord_unit [256] |
| unit of the displacement | |
1.8.5