On Wed, Jul 03, 2013, Sangita Kachhap wrote:
>
> I am doing nmode entropy calculation using MMPBSA.py module of
> protein-DNA complex.
>
> Line minimizer aborted: rounding error
> Line minimizer aborted: step at lower bound
Look at the output of the nab run where this message appears. There may be
some additional information in the standard output file. This may just be a
warning, and not affect the final output, but you should check.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 03 2013 - 05:30:03 PDT
