Dear Chiba Suntaro,
> I am deriving RESP charges of a new residue using Gaussian 09 rev B.01
> (g09).
>
> According to ‘AmberTools Bug Fixes (http://ambermd.org/bugfixesat.html)
> <http://ambermd.org/bugfixesat.html%29>‘,
> “In Gaussian09 rev B.01, the facility to write out the electrostatic
> potential
> on a grid of points was inadvertently deleted.”
- You could use the R.E.D. III.4 tools with GAMESS or Firefly, or
- You could also use R.E.D. Server 2.0, which interfaces GAMESS,
Firefly or Gaussian 09 version A2 (or Gaussian 3003 version E.01).
See
http://q4md-forcefieldtools.org/
regards, Francois
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Received on Sun May 15 2011 - 23:30:03 PDT
