the ff12SB partial charges are the same as those for ff99SB (and ff94), so
check that article for details. ff12SB details will be coming soon...
===================================================================
Carlos Simmerling, Ph.D.
Professor, Department of Chemistry
Associate Director, Laufer Center for Physical and Quantitative Biology
CMM Bldg, Room G80 Phone: (631) 632-1336 Fax: 632-1555
Stony Brook University E-mail:
carlos.simmerling.stonybrook.edu <carlos.simmerling.gmail.com>
Stony Brook, NY 11794-5115 Web: http://www.simmerlinglab.org
===================================================================
On Wed, Jul 4, 2012 at 3:04 PM, manikanthan bhavaraju <
manikanthanbhavaraju.gmail.com> wrote:
> Hi All,
>
> Can anybody tell me which theoretical method and basis set was used to
> derive the atomic charges for ff12SB ? Where can I find such an
> information for other force fields?
>
> Thanks,
> mani
>
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Received on Wed Jul 04 2012 - 12:30:03 PDT
