[molpro-user] {SPAM}? Problem Specifying Atom Groups when using DISSOC Constraint in SLAPAF

[Laura McDriscoll]

Hi,
  I am trying to do an optimization of a helium oxygen cluster, constraining the distances between the oxygen and helium centers of mass, using the SLAPAF optimization program.  The input is as follows, following the directions in the manual.
***,Iodide Water Clustermemory,400,mprint,basis,orbitals
R1=1.0R2=1.0R3=1.0R4=1.0
GEOMETRYHe1  0, 0.0  R1  0.0He2  0, 0.0  0.0  0.0O3  0, 0.0  0.0  R4O4  0, 0.0  R2   R3END
basis=6-31+G(d)
 
{hf}
{optg,method=slnrconstraint,3,dissoc,group1=[He1,He2],group2=[O3,O4]}
---The program fails to start the optimization, giving the following error message at the end of the output file
 
PROGRAM * OPT (Geometry optimization) Authors: F. Eckert and H.-J. Werner
? Error
? Wrong atoms specification
? The problem occurs in CONS_PARSESTR
ERROR EXIT
CURRENT STACK: MAIN
 
Everything else appears ok, but it just fails.  I have tried various types of geometry input, including z matrix and cartesian, all to no avail.  Am I missing something obvious?  I simply can't get it to run.  Any successful sample input files would be very welcome  Thank's for your help.
 
Laura  
 
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