Gromacs  2024.1
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MoleculeType Struct Reference


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

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