Gromacs  2020.4
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Attributes
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
 

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