[gmx-users] problem with inflategro

[Justin Lemkul]

On 3/6/18 9:03 AM, kordzadeh at aut.ac.ir wrote:
> Hi Dr.Lemkul
>
> Thank you very much for your answer, I think input file is correct, when I performed infaltegro again, I found this error
>
> Argument "C1" isn't numeric in printf at inflategro.pl line 502.
> Argument "C2" isn't numeric in printf at inflategro.pl line 502.
> Argument "C3" isn't numeric in printf at inflategro.pl line 502.
> Argument "N4" isn't numeric in printf at inflategro.pl line 502.
> Argument "C5" isn't numeric in printf at inflategro.pl line 502.
> Argument "C6" isn't numeric in printf at inflategro.pl line 502.
> Argument "O7" isn't numeric in printf at inflategro.pl line 502.
> Argument "P8" isn't numeric in printf at inflategro.pl line 502.
> Argument "O9" isn't numeric in printf at inflategro.pl line 502.
> Argument "C1" isn't numeric in printf at inflategro.pl line 502.
> Argument "C2" isn't numeric in printf at inflategro.pl line 502.
> Argument "C3" isn't numeric in printf at inflategro.pl line 502.
> Argument "N4" isn't numeric in printf at inflategro.pl line 502.
> Argument "C5" isn't numeric in printf at inflategro.pl line 502.
> Argument "C6" isn't numeric in printf at inflategro.pl line 502.
> Argument "O7" isn't numeric in printf at inflategro.pl line 502.
> Argument "P8" isn't numeric in printf at inflategro.pl line 502.
> Argument "O9" isn't numeric in printf at inflategro.pl line 502.
>
> I don't know, what is that mean

It suggests that your input file is not, in fact, "correct."  There is 
probably some formatting issue somewhere.

I suggest adding some debug/print statements to the InflateGRO script to 
figure out where the problem lies, and inspect the offending lines.

-Justin

> I can't attach my input file because is very large
>
> Thank you very much
>
> Regards
>
> Azadeh
>

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
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jalemkul at vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

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