next up previous contents index
Next: Message 470: error - Up: The DL_POLY_2 Error Messages Previous: Message 466: error -   Contents   Index

Message 468: error - r0 too large for snm potential with current cutoff

The specified location (r0) of the potential minimum for a shifted n-m potential exceeds the specified potential cutoff. A potential with the desired minimum cannot be created.

Action:
To obtain a potential with the desired minimum it is necessary to increase the van der Waals cutoff. Locate the rvdw directive in the CONTROL file and reset to a magnitude greater than r0. Alternatively adjust the value of r0 in the FIELD file. Check that the FIELD file is correctly formatted.



W Smith 2003-05-12