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MoleculePatchDatabase Struct Reference

#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< MoleculePatchhack
 List of changes to atoms.
< BondedInteractionList,
ebtsNR > 
 List of bonded interactions to potentially add.

The documentation for this struct was generated from the following file: