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Message 230: error - neutral groups improperly arranged

In the DL_POLY_2 FIELD file the charged groups must be defined in consecutive order. This error results if this convention is not adhered to.

Action:
The arrangement of the data in the FIELD file must be sorted. All atoms in the same group must be arranged consecutively. Note that reordering the file in this way implies a rearrangement of the CONFIG file also.



W Smith 2003-05-12