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Message 93: error - cannot use shell model with rigid molecules

The dynamical shell model implemented in DL_POLY_2 is not designed to work with rigid molecules. This error results if these two options are simultaneously selected.

Action:
In some circumstances you may consider overriding this error message and continuing with your simulation. For example if your simulation does not require the polarisability to be a feature of the rigid species, but is confined to free atoms or flexible molecules in the same system. The appropriate error trap is found in subroutine SYSDEF.



W Smith 2003-05-12