Gromacs
2025.0-dev-20241009-5c23d5f
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#include <gromacs/topology/include/gromacs/topology/exclusionblocks.h>
Describes exclusions for a single atom.
Public Member Functions | |
int | nra () const |
Number of atoms in the exclusion. | |
Public Attributes | |
std::vector< int > | atomNumber |
Atom numbers for exclusion. | |