thank you very much
kala bharath
On Fri, Feb 25, 2011 at 10:55 PM, case <case.biomaps.rutgers.edu> wrote:
> On Fri, Feb 25, 2011, kala wrote:
> >
> > QMMM: ERROR!
> > QMMM: Unable to achieve self consistency to the tolerances specified
> > QMMM: No convergence in SCF after 1000 steps.
> > QMMM: E = -0.1518E+07 DeltaE = -0.2626E+01 DeltaP = 0.3996E-01
> > QMMM: Smallest DeltaE = -0.2490E-10 DeltaP = 0.5095E-06 Step = 914
>
> Please see Note 6 on p. 84 of the AmberTools Users' Manual.
>
> ...dac
>
>
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Received on Sat Feb 26 2011 - 09:00:02 PST
