MoleculeType Struct Reference

Description

Describes a molecule type, and keeps track of the number of these molecules.

Used for sorting coordinate file data after solvation

Public Attributes
std::string	name
	molecule name
int	numAtoms = 0
	number of atoms in the molecule
int	numMolecules = 0
	number of occurences of molecule

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

• src/gromacs/gmxpreprocess/solvate.cpp