MoleculePatchDatabase Struct Reference

#include <gromacs/gmxpreprocess/hackblock.h>

Description

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.
std::array < BondedInteractionList, ebtsNR >	rb
	List of bonded interactions to potentially add.

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

• src/gromacs/gmxpreprocess/hackblock.h