Gromacs
2024.4
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Wraps the datastructures for the different vsite bondeds.
Public Attributes | |
std::vector < VsiteBondedInteraction > | bonds |
Bond vsites. | |
std::vector < VsiteBondedInteraction > | angles |
Angle vsites. | |
std::vector < VsiteBondedInteraction > | dihedrals |
Dihedral vsites. | |