[gmx-users] how to make index of a micelle

[Giuseppe R Del Sorbo]

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
> 
> --
> ==================================================
> 
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Office: 301 Fralin Hall
> Lab: 303 Engel Hall
> 
> Virginia Tech Department of Biochemistry
> 340 West Campus Dr.
> Blacksburg, VA 24061
> 
> jalemkul at vt.edu | (540) 231-3129
> http://www.thelemkullab.com
> 
> ==================================================