Example: geometry optimization with SM12 using RESP charges
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"Download Ethanol_SM12_resp.run"

   #!/bin/sh

   # Example that does a geometry optimization on Ethanol with SM12 using RESP charges.
   # SM12 analytical gradients are implemented for CHELPG or RESP charges.
   # NumericalQuality good is recommended.

   "$AMSBIN/ams" << eor
   Task GeometryOptimization
   System
       Atoms
           C     0.01247000     0.02254000     1.08262000
           C    -0.00894000    -0.01624000    -0.43421000
           H    -0.49334000     0.93505000     1.44716000
           H     1.05522000     0.04512000     1.44808000
           H    -0.64695000    -1.12346000     2.54219000
           H     0.50112000    -0.91640000    -0.80440000
           H     0.49999000     0.86726000    -0.84481000
           H    -1.04310000    -0.02739000    -0.80544000
           O    -0.66442000    -1.15471000     1.56909000
       End
   End

   Engine ADF
       Basis
           Type DZP
           Core None
       End
       XC
           GGA PBE
       End
       SOLVATION SM12
           SOLV NAME=WATER
           SM12SolvationPotential RESP
           SM12espgridspacing 0.3
       End
       NumericalQuality Good
   EndEngine
   eor
