[gmx-users] gromacs command grompp error

Yaser Hosseini yaser.hosseini.biologist at gmail.com
Thu Sep 25 21:28:50 CEST 2014


i dont undrestand it :
In general, an .mdp file is just a text file.  Create them in a text editor.

in tutorial i found this:

http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme_old/Files/ions.mdp

but i dont know how can i use this.
can you explain to me in esay vay thanks.

On 9/25/14, Yaser Hosseini <yaser.hosseini.biologist at gmail.com> wrote:
> hi gromacs users
>
> i wanted to run this command :
>
> grompp -f ions.mdp -c 1AKI_solv.gro -p topol.top -o ions.tpr
>
> but i dont have this file in my folder path:
>
> ions.mdp
>
> how can i get this file in my path.
>
> thank you.
>


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