Subject: Question about MOPAC v5.0

From: [email-masked] (SHIP O' SHRIMP)
Date: Mon, 9 Sep 91 09:38:51 PDT

I am trying to get MOPAC v 5.0 (QCPE #455) to perform some geometry
  optimizations and hyperpolarizability calculations (using the
  POLAR keyword) on some systems containing sulfur using the
  AM1 Hamiltonian.  The manual claims that AM1 is parametrized
  for sulfur (p. 3-3), but, when the program runs, I am told
  that only MNDO parameters are available, that it is dangerous
  to mix parameters, but that I can specify "PARASOK" and
  run the calculation anyway.  The manual (also on p. 3-3)
  does mention that if one wants to use Si or P with AM1,
  one will get this message, but sulfur is supposed to be legal.
  
  I hope I am not missing something obvious and bothering the
  list, but comments, fixes, etc. are requested.  I
  am glad to summarize responses if there are any.
  
  Please respond to [email-masked] or
  [email-masked].  Thanks
  
  Chris Gorman