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Message 185: error - too many reciprocal space vectors

DL_POLY_2 places hard limit on the number of k vectors to be used in the Ewald sum and terminates if more than this is requested.

Action:
Either consider using fewer k vectors in the Ewald sum (and a larger cutoff in real space) or follow standard user response to reset the parameters kmaxb, kmaxc.



W Smith 2003-05-12