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10.4.2 Intramolecular Nonbonded Contacts
- Whenever you define a nonbonded contact, you must specify whether the contact is allowed to be intermolecular, intramolecular or either.
- For contacts that are allowed to be intramolecular, you must specify the minimum number of covalent bonds that must separate the two contact atoms.
- For example, with the setting below for a Cl...Br contact definition:
the Cl1 and Br1 contact, separated by 4 bonds, would be allowed but the Br2 and Cl1 atoms,
separated by 3 bonds, would not:
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