[gmx-users] Step Four: Adding Ions

RAHUL SURESH drrahulsuresh at gmail.com
Sun Aug 19 20:34:29 CEST 2018


Hi

Ions.mdp is an input file which you frame it or better you download it from
the tutorial itself.

Read carefully the tutorial page so that you can find the link which lead
to mdp file.

Thank you.

On Sun, 19 Aug 2018 at 10:52 PM, Maximiliano Sebastián Castillo <
mcastillo at itba.edu.ar> wrote:

> Hello! I'm doing "GROMACS Tutorial" and I have the next error:
>
> Command line:
>   gmx grompp -f ions.mdp -c 1AKI_solv.gro -p topol.top -o ions.tpr
>
>
> -------------------------------------------------------
> Program:     gmx grompp, version 2018.2
> Source file: src/gromacs/commandline/cmdlineparser.cpp (line 276)
> Function:    void gmx::CommandLineParser::parse(int*, char**)
>
> Error in user input:
> Invalid command-line options
>   In command-line option -f
>     File 'ions.mdp' does not exist or is not accessible.
>     The file could not be opened.
>       Reason: No such file or directory
>       (call to fopen() returned error code 2)
>
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> --
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-- 
*Regards,*
*Rahul *


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