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Hi, I am looking for an array of atoms in DLPOLY 4 that contains the global identities of the atoms within a molecule. As an example: Say I have the global identity of the oxygen (O) 4th water molecule ( such that: ltg(iatm) = 10 ) - how do I find the two hydrogen that this oxygen is bonded to in ltg() and their coordinates in the node local variables xxx(),yyy(),zzz(). Hopefully I have made myself clear - please ask for clarification if required. Thanks in advance, Joseph Thacker