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

gozde ergin gozdeeergin at gmail.com
Fri Sep 2 13:26:13 CEST 2016


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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