On Fri, Feb 26, 2016, Jesmita Dhar wrote:
> I have found the following error,
> QMMM: ERROR!
> QMMM: Unable to achieve self consistency to the tolerances specified
> QMMM: No convergence in SCF after 1000 steps.
> QMMM: E = -0.1893E+07 DeltaE = -0.1053E+02 DeltaP = 0.6165E-01
> QMMM: Smallest DeltaE = -0.1011E-01 DeltaP = 0.5149E-01 Step = 78
> Pls help
Please see note 6 on p. 275 of the Amber 2015 Reference Manual.
...dac
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Received on Fri Feb 26 2016 - 05:30:06 PST
