Re: [AMBER] Error message while running alanine dipeptide tutorial (minimization)

From: Nikolay N. Kuzmich <nnkuzmich.gmail.com>
Date: Tue, 1 Dec 2015 12:27:53 +0300

If I add a blank line at the end of 01_Min.in file,
another error message appears:
nikolay/Tutorial% $AMBERHOME/bin/sander -O -i 01_Min.in -o 01_Min.out -p
prmtop -c inpcrd -r 01_Min.rst -inf 01_Min.mdinfo

  Error opening unit 30: File "inpcrd" is missing or
unreadable
nikolay/Tutorial%

Kind regards
Nick



2015-12-01 12:08 GMT+03:00 Nikolay N. Kuzmich <nnkuzmich.gmail.com>:

> you might try without a space before the &cntrl and / lines
>
> On Mon, Nov 30, 2015 at 6:39 AM, Nikolay N. Kuzmich <nnkuzmich.gmail.com>
> wrote:
>
> *> Dear Bill, David and other Amber users, *
> *> *
> *> I enclose a copy of the 01_Min.in file. *
> *> How should it be formatted correctly?.. *
> *> Also an extra blank line at the end mdread1.F90 file was added, *
> *> but it didn't help. *
> *> So what can be done next?.. *
> *> I am a beginner at Amber and compiling, etc. *
> *> so hope for your empathy. *
> *> *
> *> Kind regards, *
> *> Nick *
> *> *
> *> 2015-11-27 11:28 GMT+03:00 Nikolay N. Kuzmich <nnkuzmich.gmail.com
> <http://nnkuzmich.gmail.com>>: *
> *> *
> *> > Dear Amber users, *
> *> > *
> *> > When I launched minimization procedure in course of the alanine
> dipeptide *
> *> > tutorial *
> *> > I have received an error message: *
> *> > *
> *> > linux-0bye nikolay/Tutorial# $AMBERHOME/bin/sander -O -i 01_Min.in -o
> *
> *> > 01_Min.out -p prmtop -c inpcrd -r 01_Min.rst -inf 01_Min.mdinfo *
> *> > At line 668 of file mdread1.F90 (unit = 5, file = '01_Min.in') *
> *> > Fortran runtime error: End of file *
> *> > linux-0bye nikolay/Tutorial# *
> *> > *
> *> > I also have attached mdread1.F90 file which contains FATAL ERROR
> messages *
> *> > in it. *
> *> > Please tell me how could I fix it. *
> *> > *
> *> > Kind regards, *
>
>
> *> > Nick*
> Dear Carlos,
>
> thanks for your advice, I have deleted these spaces
> but the same error message appears again...
> Is there a problem still in 01_Min.in file,
> that is, Amber can't see the &cntrl character in it?
>
> Kind regards,
> Nick
>
> 2015-11-30 14:39 GMT+03:00 Nikolay N. Kuzmich <nnkuzmich.gmail.com>:
>
>> Dear Bill, David and other Amber users,
>>
>> I enclose a copy of the 01_Min.in file.
>> How should it be formatted correctly?..
>> Also an extra blank line at the end mdread1.F90 file was added,
>> but it didn't help.
>> So what can be done next?..
>> I am a beginner at Amber and compiling, etc.
>> so hope for your empathy.
>>
>> Kind regards,
>> Nick
>>
>> 2015-11-27 11:28 GMT+03:00 Nikolay N. Kuzmich <nnkuzmich.gmail.com>:
>>
>>> Dear Amber users,
>>>
>>> When I launched minimization procedure in course of the alanine
>>> dipeptide tutorial
>>> I have received an error message:
>>>
>>> linux-0bye nikolay/Tutorial# $AMBERHOME/bin/sander -O -i 01_Min.in -o
>>> 01_Min.out -p prmtop -c inpcrd -r 01_Min.rst -inf 01_Min.mdinfo
>>> At line 668 of file mdread1.F90 (unit = 5, file = '01_Min.in')
>>> Fortran runtime error: End of file
>>> linux-0bye nikolay/Tutorial#
>>>
>>> I also have attached mdread1.F90 file which contains FATAL ERROR
>>> messages in it.
>>> Please tell me how could I fix it.
>>>
>>> Kind regards,
>>> Nick
>>>
>>> Nikolay Kuzmich, PhD
>>> Department of Drug Safety
>>> Research Institute of Influenza
>>> WHO National Influenza Centre of Russia
>>> 197376 Saint-Petersburg
>>> http://www.influenza.spb.ru/en/
>>> 15/17 Professor Popov St.
>>> Tel.: +78124991559
>>> Mobile: +79213491750
>>> e-mail: nikolay.kuzmich.influenza.spb.ru
>>> nnkuzmich.gmail.com
>>>
>>
>>
>
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Received on Tue Dec 01 2015 - 01:30:04 PST
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