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

From: Bill <ross.cgl.ucsf.edu>
Date: Mon, 30 Nov 2015 14:49:41 -0800

It looks ok to me, so I wonder if there is a problem in line termination
(Unix vs. Windows?).

Is there any chance you are looking at an unused version of the .in
(like the real one is in another dir)?

Bill

On 11/30/15 3:39 AM, Nikolay N. Kuzmich 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>:
>
>> 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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>> AMBER.ambermd.org
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Received on Mon Nov 30 2015 - 15:00:03 PST
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