Dear Jason,
Thank you so much. It is running now. Sorry that I always make this mistake
of not sending input files, I am so involved with my work that I am not
paying attention to explaining the question properly.
Regards,
Maryam
On Tue, Nov 4, 2014 at 8:35 PM, Jason Swails <jason.swails.gmail.com> wrote:
> On Tue, Nov 4, 2014 at 2:23 AM, maryam azimzadehirani <
> maryamai1988.gmail.com> wrote:
>
> > Dear Amber users,
> > I tried aMD with amber12 but I get this error after submitting the
> > simulation. As far as I know my energy calculations should be fine. Can
> you
> > think of any possible reason for such error:
> >
> > onbond cells need to be recalculated, restart simulation from previous
> > checkpoint
> > with a higher value for skinnb.
> > At line 310 of file mdin_ewald_dat.F90 (unit = 5, file = 'prod_MD.in')
> > Fortran runtime error: End of file
> >
>
> ​Looks to me like you didn't close the &ewald namelist with "/" or "&end".
> That would certainly explain why the calculation was failing with that
> error message in mdin_ewald_dat.F90, but without actually _seeing_ your
> input file, all I can do is guess.
>
> Good luck,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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Received on Wed Nov 05 2014 - 01:00:02 PST
