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Gromacs
2026.0-dev-20251119-5f0a571d
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Classes | |
| class | UpdateGroupsTest |
| Test fixture class. More... | |
Functions | |
| gmx_moltype_t | flexibleEthaneUA () |
| Returns a flexible ethane united-atom molecule. | |
| gmx_moltype_t | ethaneUA () |
| Returns an ethane united-atom molecule. | |
| gmx_moltype_t | methane () |
| Returns a methane molecule. | |
| gmx_moltype_t | ethane () |
| Returns an ethane molecule. | |
| gmx_moltype_t | butaneUA () |
| Returns a butane fully-constrained united-atom molecule. | |
| gmx_moltype_t | waterThreeSite () |
| Returns a three-site water molecule. | |
| gmx_moltype_t | waterFourSite () |
| Returns a four-site water molecule with virtual site. | |
| gmx_moltype_t | waterFlexAngle () |
| Returns a water molecule with flexible angle. | |
1.8.5