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Message 65: error - too many excluded pairs specified

This error can arise when DL_POLY_2 is identifying the atom pairs that cannot have a pair potential between them, by virtue of being chemically bonded for example (see subroutine EXCLUDE). Some of the working arrays used in this operation may be exceeded, resulting in termination of the program.

Action:
Standard user response. Fix the parameter mxexcl.



W Smith 2003-05-12