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Gromacs
2026.0-dev-20251114-850eace
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#include <gromacs/topology/topology.h>
Collaboration diagram for gmx_moltype_t:Molecules type data: atoms, interactions and exclusions.
Public Member Functions | |
| gmx_moltype_t & | operator= (const gmx_moltype_t &)=delete |
| Deleted copy assignment operator to avoid (not) freeing pointers. | |
| gmx_moltype_t (const gmx_moltype_t &)=default | |
| Default copy constructor. | |
Public Attributes | |
| char ** | name |
| Name of the molecule type. | |
| t_atoms | atoms |
| The atoms in this molecule. | |
| InteractionLists | ilist |
| Interaction list with local indices. | |
| gmx::ListOfLists< int > | excls |
| The exclusions. | |
1.8.5