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Message 85: error - required velocities not in CONFIG file

If the user attempts to start up a DL_POLY_2 simulation with the restart or restart scale directives (see description of CONTROL file,) the program will expect the CONFIG file to contain atomic velocities as well as positions. Termination results if these are not present.

Action:
Either replace the CONFIG file with one containing the velocities, or if not available, remove the restart directive altogether and let DL_POLY_2 create the velocities for itself.



W Smith 2003-05-12