Thank you very much for your answer!
2011/11/28 David A Case <case.biomaps.rutgers.edu>
> On Mon, Nov 28, 2011, Алексей Раевский wrote:
>
> > He told I had to use solvated molecule to
> > calculate partial charge with AM1-BCC?
>
> If I understand the question correctly, this is not true. The AM1-BCC
> protocol starts with a vacuum AM1 calculation.
>
> ....dac
>
>
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Received on Mon Nov 28 2011 - 08:00:03 PST
