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Order of Exclusion List

The exclusion list order takes a value out of \( \pm 1, \pm 2, \pm 3,
\pm 4, \pm 5 \) which excludes certain non-bonded interactions between neighboring atoms. The meaning of this parameter is identical to the NBXMod variable in X-PLOR:
\(\pm 1\) no nonbonded exclusions, that is, all nonbonded interactions are computed regardless of covalent bonds.
\(\pm 2\) exclude nonbonded interactions between bonded atoms (1-2).
\(\pm 3\) exclude 1-2 and 1-3 angle nonbonded interactions
\(\pm 4\) exclude 1-2, 1-3, and 1-4 nonbonded interactions
\(\pm 5\) same as \(\pm 4\) with 1-4 damping parameter for electrostatics and special 1-4 parameter for vdw interaction
The default exclusion list order is 5. A positive value causes explicit nonbonded exclusions to be taken account of, a negative value causes them to be discarded. (See also [6, pp. 57 & 97].)

Helmut Heller