[gmx-users] Lysozyme-Water Tutorial problem : em.tpr
jalemkul at vt.edu
Fri Aug 8 23:04:03 CEST 2014
On 8/8/14, 2:53 PM, Agnivo Gosai wrote:
> Dear Users
> I have been following the Lysozyme in Water tutorial by Dr. Lemkul step by
> step (GROMACS Version 4.6.5) and I must confess that I am a beginner.
> I am now stuck in Step 5 : Energy Minimization.
> I had performed the step :-
> *grompp -f minim.mdp -c 1AKI_solv_ions.gro -p topol.top -o em.tpr
> Next when I proceeded with : -
> *mdrun -v -deffnm em*
> I got the following message in my terminal :-
> *Program mdrun, VERSION 4.6.5Source code file:
> /build/buildd/gromacs-4.6.5/src/gmxlib/gmxfio.c, line: 524Can not open
> file:-em.tprFor more information and tips for troubleshooting, please
> check the GROMACSwebsite at
> I am not sure as to how to carry on to the next level. Any insight is
> very much appreciated.
If it's looking for a file called "-em.tpr" then you haven't typed your mdrun
command correctly. This error won't come up if you type the command exactly as
shown in the tutorial.
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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