On Wed, 2014-09-17 at 15:19 -0300, Investigador Química wrote:
> Hi AMBER users:
>
> Now I'm trying to run the "min.in" file to minimize.
> I put in the console the instruction:
>
> sander -O -i test.in -o test.out -c cnt.inpcrd -p cnt.prmtop -r cnt.rst
>
>
> and the system tell me:
>
> At line 524 of file mdread.F90 (unit = 5, file = 'test.in')
> Fortran runtime error: End of file
>
>
> The "test.in" file is in the correct directory and I have all the necessary
> files to minimize in the same directory.
>
> How can I to solve this problem?
>
> The test.in file have this instruction for default:
>
> --
> Test
> &cntrl
> imin = 1,
> maxcyc = 500,
> ncyc = 250,
> ntb = 0,
> igb = 0,
> cut = 12
> /
I don't see an obvious problem with this input file (although a 12 A
cutoff is awfully small for an aperiodic system).
What happens if you put a space before &cntrl? Does that fix it? What
about putting a space before the /? If neither of those works, try
replacing / with &end
Do any of those work?
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Sep 17 2014 - 12:00:04 PDT
