Noel, thank you for your response.
I tried the same command line expression as before minus the single
quotation marks as you suggested. An output .gjf file was created but
nothing was written to it, it was just an empty file. The command prompt
output stated "0 molecules converted, 2 audit log messages"
Note: I have successfully done this conversion using the iBabel Mac GUI,
but the OpenBabel Windows GUI and command line are not working for me, so I
do not think it's an issue with my POSCAR file. While I could just use the
Mac GUI myself, other members of my research group only have access to
Windows computers.
Thanks,
Cameron
On Mon, Jul 14, 2014 at 4:33 PM, Noel O'Boyle <baoille...@gmail.com> wrote:
> Try without the single quotation marks.
>
>
> On 7 July 2014 20:10, Cameron Bodenschatz <cbod...@g.clemson.edu> wrote:
>
>> I am trying to convert a POSCAR file to a Gaussian .gjf file using Open
>> Babel on Windows 8.1. When I attempt the conversion in the GUI, the output
>> message box says "0 molecules converted" and a blank .gjf output file is
>> created. I tried to run the conversion using the command line by typing:
>>
>> C:\Users\Cameron>babel -iPOSCAR 'C:\Users\Cameron\Desktop\11kpts\POSCAR'
>> -ogjf 'C:\Users\Cameron\Desktop\POSCAR.gjf'
>>
>> I receive the following error:
>>
>> *** Open Babel Error in OpenBabel::OBConversion::FullConvert
>> Cannot write to 'C:\Users\Cameron\Desktop\11kpts\POSCAR.gjf'
>> 0 molecules converted
>> 1 errors
>>
>> Is this an issue with my command statement, my installation of OpenBabel,
>> or something else? Do I need to run the conversion as an administrator on
>> my PC?
>>
>> I'm sorry if this has been asked before, I did not find it in the
>> archives. Thanks for your help.
>>
>> --
>> Cameron
>>
>>
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>>
>
--
Cameron
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