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 - 07:00:04 PST
