CCL:G: G09: ONIOM error



 Sent to CCL by: "Vera  Cathrine" [vera.cathrine||yahoo.com]
 Dear CCLers.
 I like to do  an ONIOM(QM/MM) geometry optimization. I don't freeze any atom
 during optimization. I start the model chemistry with oniom(blyp/3-21g:amber)
 The optimization was terminated normally with this method. Then, to extend the
 calculation to oniom(blyp/6-31g:amber) I build a new input file from out file of
 previous calculation using Gaussview. All the set up is the same and I just want
 to extend my basis set to a larger one. However I run into problem with missing
 parameters as following:
 Include all MM classes
  Bondstretch undefined between atoms    599    600 C-OM [H,H] *
  Bondstretch undefined between atoms   1002   1003 CM-HC [H,H] *
  Bondstretch undefined between atoms   1002   1004 CM-HC [H,H] *
  Bondstretch undefined between atoms   1914   1915 C1-OM [H,H] *
  Bondstretch undefined between atoms   1914   1916 C1-CM [H,H] *
  Bondstretch undefined between atoms   1916   1917 CM-HC [H,H] *
  Bondstretch undefined between atoms   1918   1919 CM-HC [H,H] *
  Bondstretch undefined between atoms   1925   1926 C-OM [H,H] *
  Angle bend  undefined between atoms    597    599    600 CA-C-OM [H,H,H] *
  Angle bend  undefined between atoms    600    599    602 OM-C-CA [H,H,H] *
  Angle bend  undefined between atoms    998   1000   1002 N-CT-CM [H,H,H] *
  Angle bend  undefined between atoms   1000   1002   1003 CT-CM-HC [H,H,H] *
  Angle bend  undefined between atoms   1000   1002   1004 CT-CM-HC [H,H,H] *
  Angle bend  undefined between atoms   1001   1000   1002 H1-CT-CM [H,H,H] *
  Angle bend  undefined between atoms   1002   1000   1006 CM-CT-C [H,H,L]
  Angle bend  undefined between atoms   1003   1002   1004 HC-CM-HC [H,H,H] *
  Angle bend  undefined between atoms   1914   1916   1917 C1-CM-HC [H,H,H] *
  Angle bend  undefined between atoms   1914   1916   1918 C1-CM-CM [H,H,H] *
  Angle bend  undefined between atoms   1915   1914   1916 OM-C1-CM [H,H,H] *
  Angle bend  undefined between atoms   1916   1918   1919 CM-CM-HC [H,H,H] *
  Angle bend  undefined between atoms   1917   1916   1918 HC-CM-CM [H,H,H] *
  Angle bend  undefined between atoms   1918   1920   1921 CM-CA-CA [H,H,H] *
  Angle bend  undefined between atoms   1918   1920   1929 CM-CA-CM [H,H,H] *
  Angle bend  undefined between atoms   1919   1918   1920 HC-CM-CA [H,H,H] *
  Angle bend  undefined between atoms   1921   1920   1929 CA-CA-CM [H,H,H] *
  Angle bend  undefined between atoms   1923   1925   1926 CA-C-OM [H,H,H] *
  Angle bend  undefined between atoms   1923   1925   1927 CA-C-CM [H,H,H] *
  Angle bend  undefined between atoms   1926   1925   1927 OM-C-CM [H,H,H] *
  * These undefined terms cancel in the ONIOM expression.
  MM function not complete
  Error termination via Lnk1e in /usr/local/gaussian/g09/l101.exe at Fri Mar  9
 10:57:34 2012.
 I understand now that error shows some missing parameters. But my questions are
 :
 1-why I had no such a problem in my previous calculation? whtehr Gaussview
 removes some parameters? I compared the input file and they are quite the same.
 2-These missing parameter all are related to higher level, why Gaussian should
 complain about them?
 3-I have a proton which is bound to an atom in my QM layer but its distance with
 connected atom (oxygen) increases during the first optimization. It seems that
 this hydrogen is not bound to that oxygen any more but with a new atom. Should I
 change the atom type for the second optimization? or should I keep the same atom
 type?
 I would appreciate any help.
 Best wishes,
 Vera