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 It is important for the user to understand that there is an organisational correspondence between the FIELD file and the CONFIG file described above. It is required that the order of specification of molecular types and their atomic constituents in the FIELD file follows the order in which they appear in the CONFIG file. Failure to adhere to this common sequence will be detected by DL_POLY_2 and result in premature termination of the job. It is therefore essential to work from the CONFIG file when constructing the FIELD file. It is not as difficult as it sounds!

The entry of the molecular details begins with the mandatory directive: