[gmx-users] Free energy calculation, Methane in water tutorial

[sun.iba2]

@Gozde..yes the.tpr file is not produced. I am looking at it. Will try again.
Thank you


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<div>-------- Original message --------</div><div>From: gozde ergin <gozdeeergin at gmail.com> </div><div>Date:02/09/2016  4:56 PM  (GMT+05:30) </div><div>To: gmx-users at gromacs.org </div><div>Cc:  </div><div>Subject: Re: [gmx-users] Free energy calculation, Methane in water tutorial </div><div>
</div>The error is pretty clear. Do you produce the min0.tpr file?
Where do you put this file? Is it in the same directory of job.sh file?

> On 02 Sep 2016, at 13:09, Sun Iba <sun.iba2 at gmail.com> wrote:
> 
> Hello dear users
> 
> I am following Justin's tutorial for free energy calculation of Methane in
> water. I have downloaded the job.sh file and trying to run it in terminal
> using: sh job.sh but it is giving following error:
> 
> Program mdrun, VERSION 5.0
> Source code file:
> /home/corona2/Downloads/gromacs-5.0/src/gromacs/fileio/gmxfio.c, line: 513
> 
> Can not open file:
> min0.tpr
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
> 
> Please help me with error.
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