[CHM 331] RIGID PES SCAN

[Andrew J. Pounds]

  Okay gang -- let's try this another way.  I know it works between the 
Windows and Linux machines in my office.

   1. Open the e-mail I sent at 6:01 am and save the dcescan.gjf file to
      the desktop.
   2. Open the G03 program from the start menu  (*NOT GAUSSVIEW*)
   3. Once the program interface comes up click on the File menu and
      browse to the desktop and open the file dcescan.gjf
   4. At this point the program should load the file I sent you and you
      will see the various components of the file in the dialog boxes
      within the G03 program window.
   5. Click again on the File menu option and select "Exit and Run".  It
      will ask you for the name of an output file -- select dcescan.log
   6. At this point the Gaussian program should start running the
      molecule specification file.  The log file will be scrolling on
      your screen as it runs.  Once it finishes, the results should be
      on your deskop in the dcescan.log file.   You can open this in
      WordPad, locate the PES scan data near the end of the file, and
      then "cut and paste" the PED  data to any location you desire.


As always let me know if you are having any problems.

-- 
Andrew J. Pounds, Ph.D.  (pounds at theochem.mercer.edu)
Associate Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627

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