[gmx-users] can not open em.tpr file

[Justin Lemkul]

On 10/13/15 7:28 PM, thomas knitter wrote:
> My input files are abc.gro, index.ndx topol.top, minim.mdp. I prepared a
> script to get the job running
>
> module load GROMACS/5.0.4-intel-2015A-mt
>
> #
> gmx grompp -f minim.mdp -c abc.gro -p topol.top -n index.ndx -o em.tpr
> gmx mdrun -v -deffnm em
> gmx energy -f em.edr << EOF
> 9
> 0
> EOF
> ##
>
> I keep getting
>
>   can not open file:
> em.tpr file
>

Then grompp failed, and you need to look in stderr/stdout for the reason why.

-Justin

-- 
==================================================

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

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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