On Wed, Jun 19, 2013 at 2:10 PM, Hunter Brown <bassoongoon.earthlink.net>wrote:
> When trying to run sander, as per the basic 1 tutorial, I am running into
> difficulties. Here is the message:
>
> At line 524 of file mdread.F90 (unit = 5, file =
> '/home/Hunter/amber12/polyAT_vac_init_min.in')
> Fortran runtime error: End of file
>
This means that the Fortran namelist parser could not find where the &cntrl
namelist terminated. Some compilers have quirky behavior that you may have
to experiment with. You can typically terminate namelists with either &end
or / (the example uses /). Make sure that either of these are present in
your input file and that you did not accidentally chop off the file if you
copied-and-pasted.
As-is, I've never seen the polyAT_vac_init_min.in file fail on any system
(that tutorial is quite well tested...)
If you still can't figure out the problem with your input file, it would be
worthwhile to attach the input file to another email.
Of course, a natural question is 'do the tests pass on your machine?' It
could also be that the sander executable does not work for whatever reason,
but we have no way of knowing.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 19 2013 - 13:00:04 PDT
