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

From: Nikolay N. Kuzmich <nnkuzmich.gmail.com>
Date: Tue, 1 Dec 2015 12:08:49 +0300

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 - 01:30:03 PST
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