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Message 150: error - unknown van der waals potential selected

DL_POLY_2 checks when constructing the interpolation tables for the short ranged potentials that the potential function requested is one which is of a form known to the program. If the requested potential form is unknown, termination of the program results. The most probable cause of this is the incorrect choice of the potential keyword in the FIELD file or one in the wrong columns (input is formatted).

Action:
Read the DL_POLY_2 documentation and find the potential keyword for the potential desired. Insert the correct index in the FIELD file definition and ensure it occurs in the correct columns (17-20). If the correct form is not available, look at the subroutine FORGEN (or its variant) and define the potential for yourself. It is easily done.



W Smith 2003-05-12