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Message 12: error - unknown molecule directive in FIELD file

Once DL_POLY_2 encounters the molecules directive in the FIELD file, it assumes the following records will supply data describing the intramolecular force field. It does not then expect to encounter directives not related to these data. This error message results if it encounters a unrelated directive. The most probable cause is incomplete specification of the data (e.g. when the finish directive has been omitted.)

Action:
Check the molecular data entries in the FIELD file and correct.



W Smith 2003-05-12