Gromacs
2021.4
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#include <gromacs/mdrun/simulatorbuilder.h>
Collection of handles to topology information.
Public Member Functions | |
TopologyData (gmx_mtop_t *globalTopology, MDAtoms *mdAtoms) | |
Build collection from simulation data. | |
Public Attributes | |
gmx_mtop_t * | top_global |
Handle to global simulation topology. | |
MDAtoms * | mdAtoms |
Handle to information about MDAtoms. | |