char **name; /**< Name of the molecule type */
t_atoms atoms; /**< The atoms in this molecule */
InteractionLists ilist; /**< Interaction list with local indices */
- t_block cgs; /**< The charge groups */
t_blocka excls; /**< The exclusions */
};
t_idef idef; /* The interaction function definition */
t_atoms atoms; /* The atoms */
t_atomtypes atomtypes; /* Atomtype properties */
- t_block cgs; /* The charge groups */
t_block mols; /* The molecules */
gmx_bool bIntermolecularInteractions; /* Inter.mol. int. ? */
t_blocka excls; /* The exclusions */