[gmx-users] problem with pdb2gmx

[Nizar Masbukhin]

oke thank you. it works when i move the file to my working directory
On May 1, 2014, at 5:34 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

> 
> 
> On 5/1/14, 6:02 AM, Nizar Masbukhin wrote:
>> Hi, friends. I’m new to gromacs. I’m trying to learn it based on  tutorial http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/index.html.
>> Whenever i input pdb2gmx line, i always get this message:
>> 
>> Using the Oplsaa force field in directory oplsaa.ff
>> 
>> Opening force field file /usr/local/gromacs/share/gromacs/top/oplsaa.ff/aminoacids.r2b
>> Reading 1AKI.pdb...
>> 
>> -------------------------------------------------------
>> Program pdb2gmx, VERSION 4.5.5
>> Source code file: futil.c, line: 491
>> 
>> File input/output error:
>> 1AKI.pdb
>> For more information and tips for troubleshooting, please check the GROMACS
>> website at http://www.gromacs.org/Documentation/Errors
>> -------------------------------------------------------
>> 
>> What is wrong? can anyone explain? and what is the solution?
>> 
> 
> The error means that 1AKI.pdb is not in your working directory.
> 
> -Justin
> 
> -- 
> ==================================================
> 
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
> 
> Department of Pharmaceutical Sciences
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> 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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