Gromacs  2020.4
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Member Functions | Public Attributes
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< MoleculePatchhack
 List of changes to atoms.
 
std::array
< BondedInteractionList,
ebtsNR > 
rb
 List of bonded interactions to potentially add.
 

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