Re: [AMBER] Difference between radius of gyration and max radius of gyration

From: Jean-Patrick Francoia <jeanpatrick.francoia.gmail.com>
Date: Tue, 14 Jun 2016 17:11:47 +0200

Thanks for your answer.

> Hope this helps,

Yes, a bit.

Which radius is physically relevant ? For example, if I perform a
Dynamic Light Scattering (DLS) measurement of my molecule, which R.o.G
will I obtain ?

JP


Le 14/06/2016 à 16:45, Daniel Roe a écrit :
> The radius of gyration is the root mean square distance of the
> selected atoms from their center (optionally mass-weighted) - the
> actual formula is easily obtained via a Google search. The maximum
> R.o.G. is the maximum distance of a selected atom from the center.
>
> Hope this helps,
>
> -Dan
>
> On Tue, Jun 14, 2016 at 5:42 AM, Jean-Patrick Francoia
> <jeanpatrick.francoia.gmail.com> wrote:
>> Hi,
>>
>>
>> I have a naive question. The radgyr command calculates the radius of
>> gyration for a specified mask of atoms. It can also calculate the
>> maximum radius of gyration. What is the difference between the two ? I
>> would assume the radius of gyration is the distance between the
>> molecule's center and the the atom the most far from it. But it's a
>> simple assumption.
>>
>>
>> Could you enlighten me ?
>>
>>
>> _______________________________________________
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>> http://lists.ambermd.org/mailman/listinfo/amber
>
>


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Received on Tue Jun 14 2016 - 08:30:03 PDT
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