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Message 49: error - frozen core-shell unit specified

The DL_POLY_2 option to freeze the location of an atom (i.e. hold it permanently in one position) is not permitted for core-shell units. This includes freezing the core or the shell independently.

Action:
Remove the frozen atom option from the FIELD file. Consider using a non-polarisable atom instead.



W Smith 2003-05-12