[gmx-users] g_dist

Justin A. Lemkul jalemkul at vt.edu
Wed Feb 1 21:38:23 CET 2012

dina dusti wrote:
> Dear Prof.
> Thank you very much from your response.
> He answer me that I should use from g_gyration for radius of micelle, 
> but what should I do for hydrocarbon (dry) core or calculation of inner 
> core of micelle (i.e. the first of carbon on tail of surfactant with COM 
> of micelle)?

Use g_gyrate, with a custom index group that contains the atoms of interest.  If 
you're interested in the radius of the hydrocarbon atoms, make that an index 
group and perform the analysis on it.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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