[gmx-users] gromacs command grompp error

Justin Lemkul jalemkul at vt.edu
Thu Sep 25 20:46:25 CEST 2014

On 9/25/14 2:44 PM, Yaser Hosseini 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.

It appears you are doing my tutorial, so in this case, the answer is to download 
the provided file.

In general, an .mdp file is just a text file.  Create them in a text editor.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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