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Message 13: error - molecule species not specified

This error arises when DL_POLY_2 encounters non-bonded force data in the FIELD file, before the molecular species have been specified. Under these circumstances it cannot assign the data correctly, and therefore terminates.

Action:
Make sure the molecular data appears before the non-bonded forces data in the FIELD file and resubmit.



W Smith 2003-05-12