Gromacs
2024.4
|
#include <gromacs/gmxpreprocess/hackblock.h>
A set of modifications to apply to atoms.
Public Member Functions | |
int | nhack () const |
Number of atoms to modify. | |
Public Attributes | |
std::string | name |
Name of block. | |
std::string | filebase |
File that entry was read from. | |
std::vector< MoleculePatch > | hack |
List of changes to atoms. | |
gmx::EnumerationArray < BondedTypes, BondedInteractionList > | rb |
List of bonded interactions to potentially add. | |