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 Tue Nov 04 2014 - 05:00:02 PST
