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

From: Bill <ross.cgl.ucsf.edu>
Date: Fri, 27 Nov 2015 00:35:33 -0800

Dear Nikolay,

The problem is that your 01_Min.in is not correctly formatted. At a
minimum it is not correctly terminated. If this doesn't help, please
copy it for further advice. The .F90 file is just the code where the
error is detected, not where the error exists.

Bill

On 11/27/15 12:28 AM, Nikolay N. Kuzmich wrote:
> 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 Fri Nov 27 2015 - 01:00:04 PST
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