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2 bytes added, 22:19, 28 December 2014
We The term residues is generally use the term residue used to refer to any component of a biomolecule. Within the '''MQ''' environment, any collection of atoms bound by chemical bonds (covalent, coordinative or ionic) is considered a residue if this fact is appropriately indicated in the input file. Specifically, all the atoms that make up a residue should have the same ''residue name'' (3-letter code) , ''residue serial number'' and ''chain identifier''.

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