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Gromacs
2025.3
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#include <gromacs/mdrun/simulatorbuilder.h>
Collaboration diagram for gmx::TopologyData:Collection of handles to topology information.
Public Member Functions | |
| TopologyData (const gmx_mtop_t &globalTopology, gmx_localtop_t *localTopology, MDAtoms *mdAtoms) | |
| Build collection from simulation data. | |
Public Attributes | |
| const gmx_mtop_t & | globalTopology_ |
| Handle to global simulation topology. | |
| gmx_localtop_t * | localTopology_ |
| Handle to local simulation topology. | |
| MDAtoms * | mdAtoms_ |
| Handle to information about MDAtoms. | |
1.8.5