Re: [AMBER] aMD error

From: Jason Swails <>
Date: Tue, 4 Nov 2014 07:35:55 -0500

On Tue, Nov 4, 2014 at 2:23 AM, maryam azimzadehirani <> 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 = '')
> 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 M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Tue Nov 04 2014 - 05:00:02 PST
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