CCL:G: modifysph input help

 Sent to CCL by: "Mahmoud A. A. Ibrahim" [m.ibrahim*|*compchem.net]
 Dear Adam
 It works without any problem. You have just checked the wrong line.
 The modified spheres' parameters will be found after the following
 line (comes below: Polarizable Continuum Model (PCM) table)
  ------------------------------------------------------------------------------
  Spheres list:
  ISph  on   Nord    Re0     Alpha      Xe            Ye            Ze
     1   O      1    1.700   1.200      0.000000      0.000000      0.448524
  ------------------------------------------------------------------------------
 Sincerely;
 M. Ibrahim
 On Thu, Jan 6, 2011 at 8:14 PM, Adam Tenderholt
 atenderholt(_)gmail.com <owner-chemistry::ccl.net> wrote:
 >
 > Sent to CCL by: "Adam  Tenderholt" [atenderholt]^[gmail.com]
 > Hi CCL,
 >
 > I'm trying to use Gaussian (03 or 09) to calculate a couple of solvation
 free energies. I want to check the effect of modifying the sphere radii for a
 couple of key atoms that I think may not be well-represented in the test sets
 used to parametrize default radii. I want to use the SMD-Couloumb radii for the
 rest of the atoms.
 >
 > So far, I have SCRF=(SMD,Solvent=CH3CN,Read) and the following lines in my
 input file (to say change spheres centered on atoms 1 and 2):
 >
 > modifysph
 >
 >   1    1.700   1.200
 >   2    1.500   1.000
 >
 > My output file shows the following, which makes me think that these spheres
 are not being modified correctly:
 >
 > ..
 > Using the following non-standard input for PCM:
 >  modifysph
 >  --- end of non-standard input.
 >  Reading user-defined spheres from input:
 >  ISph  on   Nord    Re0     Alpha  
    Xe            Ye      
      Ze
 >  --- end of user-defined spheres data.
 > ..
 >
 > Any suggestions? I also noticed that in some of my previous calculations,
 the sphere list gets printed but that is no longer the case. Is there a keyword
 I'm missing to make this listed get printed?
 >
 > Thanks,
 >
 > Adam
 >
 > --
 > Adam Tenderholt
 > Research Associate
 > Mayer Research Group
 > University of Washington>      http://www.ccl.net/cgi-bin/ccl/send_ccl_message>;  
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 >
 >
 --
                   Mahmoud A. A.
 Ibrahim
                    
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