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Message 82: error - calculated pair potential index too large

In checking the pair potentials specified in the FIELD file DL_POLY_2 calculates a unique integer index that henceforth identifies the potential within the program. If this index becomes too large, termination of the program results.

Action:
Standard user response. Fix the parameters mxsvdw and mxvdw.



W Smith 2003-05-12