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Message 160: error - unaccounted for atoms in exclude list

This error message means that DL_POLY_2 has been unable to find all the atoms described in the exclusion list within the simulation cell. This should never occur, if it does it means a serious bookkeeping error has occured. The probable cause is corruption of the code somehow.

Action:
If you feel you can tackle it - good luck! Otherwise we recommend you get in touch with the program authors. Keep all relevant data files to help them find the problem.



W Smith 2003-05-12