Gromacs
2024.4
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#include <gromacs/mdrun/simulatorbuilder.h>
Collection of constraint parameters.
Public Member Functions | |
ConstraintsParam (Constraints *constraints, gmx_enfrot *enforcedRotation, VirtualSitesHandler *vSite) | |
Build collection with handle to actual objects. | |
Public Attributes | |
Constraints * | constr |
Handle to constraint object. | |
gmx_enfrot * | enforcedRotation_ |
Handle to information about using enforced rotation. | |
VirtualSitesHandler * | vsite |
Handle to vsite stuff. | |