[gmx-users] how to make index of a micelle
Giuseppe R Del Sorbo
del-sorbo at ill.fr
Mon Nov 18 18:13:06 CET 2019
Dear Justin,
I want to make an index for the micelle, made od 60 molecules of SDS.
Thanks for the email.
Best,
Giuseppe
Il 2019-11-18 18:09 Justin Lemkul ha scritto:
> On 11/18/19 11:43 AM, Giuseppe R Del Sorbo wrote:
>> Dear all,
>>
>> In my simulation I have a lysine + micelle of SDS.
>>
>> In the analysis, I want to find the spherical radial distribution
>> functions of methyl groups around the center of mass of the micelle.
>>
>> I Know how to make the index for the methyl group, but how can I make
>> an index for the micelle?
>>
>
> The SDS molecules should already be a default group in the list of
> available selections. You shouldn't even need a custom group for it.
>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
> Assistant Professor
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