Hi,
a "," is missing at the end of " cut = 12 ". just in case add a empty
line after "/"
Greeting,
Hector.
> 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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> http://lists.ambermd.org/mailman/listinfo/amber
>
--------------------------------------
Dr. Hector A. Baldoni
Area de Quimica General e Inorganica
Universidad Nacional de San Luis
Chacabuco 917 (D5700BWS)
San Luis - Argentina
hbaldoni at unsl dot edu dot ar
Tel.:+54-(0)266-4520300 ext. 6157
--------------------------------------
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Received on Wed Sep 17 2014 - 18:00:02 PDT
