Gromacs
2024.4
|
#include <gromacs/mdrun/simulatorbuilder.h>
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. | |