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energy_data.excl_local -- exclude certain local pairs of atoms

This specifies whether or not the atoms in a chemical bond, chemical angle, dihedral/improper angle, and in the excluded pairs list respectively are considered in the construction of the non-bonded atom pairs list, and distance restraints. This is especially useful when simplified protein representations are used; e.g., when non-bonded restraints need to be used on $ {C}_\alpha$ $ {}_i$ - $ {C}_\alpha$ $ {}_{i+2}$ terms.



Ben Webb 2007-01-19