Sir
I am attaching the output file of the above input job as the error is the
same after the suggested solution,
please look into it and recommend the required changes in input file
On Mon, Feb 6, 2023 at 10:23 PM David Case via AMBER <amber.ambermd.org>
wrote:
> > At line 559 of file
> >
> /home/software/amber22quick/amber22_src/AmberTools/src/sander/qm2_extern_quick_module.F90
> > Fortran runtime error: Bad real number in item 1 of list input
> >
> The location of your error indicates that the quick calculation did not
> work, and so could not transfer
> any forces back to the MM part. Look carefully at all your output files
> for any indication of what might have
> gone wrong. I think there should be a quick output file, which should be
> helpful.
>
> .....dac
>
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Received on Mon Feb 06 2023 - 11:30:03 PST
