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Gromacs
2026.0-dev-20251105-11eb1db
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#include <gromacs/gmxpreprocess/gen_vsite.h>
Struct for handling vsite information for vsite generation inside grompp.
Public Attributes | |
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std::optional < InteractionFunction > | ftype |
| The interaction type. | |
| bool | swapSign = false |
| Tells whether we should swap the sign of vsites that can have different orientations. | |
1.8.5