[gmx-users] error in editconf step

[vinothkumar mohanakrishnan]

Hi try the below command. in your command you have _d in the editconf which
is unnecessary. hope it works

editconf -f K2496T.gro -o boxx.gro -bt cubic -d 0.5

Regards
Vinoth

On Tue, Nov 9, 2010 at 11:28 AM, priyam saxena <priyams18 at gmail.com> wrote:

> Hey everybody,
>
> Eveytime I use the editconf command, it gives an input/output error in form
> of my output.gro file.
>
> This is the command i've used:
>
> editconf_d -f K2496T.gro -o boxx.gro -bt cubic -d 0.5
>
> Following is the error generated:
>
> Read 7269 atoms
> Volume: 972.45 nm^3, corresponds to roughly 437600 electrons
> No velocities found
>     system size : 11.092 14.601  6.004 (nm)
>     diameter    : 15.729               (nm)
>     center      :  4.884 10.276 -1.814 (nm)
>     box vectors : 11.093 14.601  6.004 (nm)
>     box angles  :  90.00  90.00  90.00 (degrees)
>     box volume  : 972.45               (nm^3)
>     shift       :  3.480 -1.911 10.179 (nm)
> new center      :  8.365  8.365  8.365 (nm)
> new box vectors : 16.729 16.729 16.729 (nm)
> new box angles  :  90.00  90.00  90.00 (degrees)
> new box volume  :4681.89               (nm^3)
>
> Source code file: futil.c, line: 458
>
> File input/output error:
> boxx.gro
>
> I tried using different output file name and simply -o. but stil the error
> remains.
>
> Please help!
>
>
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