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Message 446: error - undefined electrostatic key in dihfrc

The subroutine DIHFRC has been requested to process a form of electrostatic potential it does not recognise.

Action:
The error arises because the integer key keyfrc has an inappropriate value (which should not happen in the standard version of DL_POLY_2 ). Check that the FIELD file correctly specifies the potential. Make sure the version of DIHFRC does contain the potential you are specifying. Report the error to the authors if these checks are correct.



W Smith 2003-05-12