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

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Mon, 30 Nov 2015 07:06:15 -0500

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>:
>
> > 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
> >
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Nov 30 2015 - 04:30:04 PST
Custom Search