[gmx-users] bad box error

amna khan amnakhan369 at gmail.com
Tue Jan 29 21:07:51 CET 2013


so, i could i correct this ?



On Wed, Jan 30, 2013 at 12:52 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 1/29/13 2:43 PM, az kalsom wrote:
>
>> hi ,
>>
>> when i use "editconf" to generate a dodecahedron box with the command
>>
>> editconf -f conf.gro -o newbox.gro -bt dodecahedron -d 1.0
>>
>> the output shows the warning
>>
>> bad box in file
>>
>> generated  a new cubic box  9.213 x    2.495 x    2.960
>>
>>
>> what is the mean of "bad box in file"?
>>   and why editconf generates a cubic box?
>>
>>
> Whatever input you have provided is malformatted.
>
> -Justin
>
> --
> ==============================**==========
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> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
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> jalemkul[at]vt.edu | (540) 231-9080
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