[gmx-users] ERROR MESSAGE DURING MINIMIZATION

[Justin Lemkul]

On 7/29/16 1:40 PM, Omamuyovwi Akemu wrote:
> Dear Nikhil Maroli and other gromacs users,
> Thank you for the prompt response. I really appreciate it but the simulation isn't working yet.
> I followed the instruction. The error message remains:Program:     gmx grompp, VERSION 5.1.2
> Source file: src/gromacs/commandline/cmdlineparser.cpp (line 234)
> Function:    void gmx::CommandLineParser::parse(int*, char**)
>
> Error in user input:
> Invalid command-line options
>   In command-line option -f
>     File 'minim.mdp' does not exist or is not accessible.
> The command line is: gmx grompp -f minim.mdp -c 1AKI_solv_ions.gro -p topol.top -o em.tpr
>
> Thank you in anticipation of comments to help me resolve this error.

The error message is clear.  The file "minim.mdp" does not exist in your working 
directory.  It needs to be.  List the files and you will surely see it is not there.

-Justin

-- 
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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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