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Message 31: error - too many chemical bonds in system

DL_POLY_2 sets a limit on the number of chemical bond potentials in the simulated system as a whole. (This number is a combination of the number of molecules and the number of bonds per molecule, divided by the number of processing nodes.) Termination results if this number is exceeded. Do not confuse this error with that described by message 30 (above).

Action:
Standard user response. Fix the parameter mxbond.



W Smith 2003-05-12