[gmx-users] calculate the size of protein

[Tsjerk Wassenaar]

Hi KT,

If you set a box in any way, editconf writes the size of the box in
the input file, the dimensions of the system and the size of the
resulting box.

Cheers,

Tsjerk

On Sat, Feb 16, 2013 at 10:42 AM, Kieu Thu Nguyen <kieuthu2212 at gmail.com> wrote:
> Hi,
>
> What is the specific editconf command should i use to calculate the
> dimensions of fitting box of the protein ?
>
> Thanks and regards,
> KT
>
>
> On Fri, Feb 8, 2013 at 2:03 PM, Kieu Thu Nguyen <kieuthu2212 at gmail.com>wrote:
>
>> Thank Tsjerk ! I mean that i want to determine the dimensions (x, y, z) of
>> the protein
>>
>>
>> On Fri, Feb 8, 2013 at 1:48 PM, Tsjerk Wassenaar <tsjerkw at gmail.com>wrote:
>>
>>> Hi KT,
>>>
>>> What do you mean with size?
>>>
>>> - circumscribed radius: editconf
>>> - radius of gyration: g_gyrate
>>> - dimensions of fitting box: editconf
>>> - volume: g_sas
>>>
>>> Cheers,
>>>
>>> Tsjerk
>>>
>>> On Fri, Feb 8, 2013 at 5:55 AM, Kieu Thu Nguyen <kieuthu2212 at gmail.com
>>> >wrote:
>>>
>>> > Dear all,
>>> >
>>> > I want to calculate the size of the protein. Which tool should i use for
>>> > this purpose ?
>>> >
>>> > Thanks and regards,
>>> > KT
>>> > --
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>>>
>>>
>>>
>>> --
>>> Tsjerk A. Wassenaar, Ph.D.
>>>
>>> post-doctoral researcher
>>> Biocomputing Group
>>> Department of Biological Sciences
>>> 2500 University Drive NW
>>> Calgary, AB T2N 1N4
>>> Canada
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>>
>>
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-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Biocomputing Group
Department of Biological Sciences
2500 University Drive NW
Calgary, AB T2N 1N4
Canada