Hello,

I am trying to run DMol3 Calculations and include isotopes.  I built the structures and specified the Isotopes using MS interface.  I created the files .CAR, .INPUT, and .MDF files.  The latter includes the isotopes information.  I uploaded these files on the supercomputer and excuted the calculations.  The calculation finished successfully but I beleive that the isotopes were not taken in consideration.  The OUTMOL file states "MDF file does not exist" and proceeds with the calculations.  Can someone look at the attached files and inform me about the problem?  This would be really appreciated.

Thanks in advance and looking forward to hearing from you soon.

Ibrahim