dinadusti at yahoo.com
Thu Feb 2 11:53:21 CET 2012
Thank you very much from your response.
OK, I use from g_gyrate for all of radius, but I still don't understand that what thing did they use in their articles for root-mean-square distance because they compared this quantity with quantity of obtained from gyration!!!
Thank you again.
From: Justin A. Lemkul <jalemkul at vt.edu>
To: dina dusti <dinadusti at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Thursday, February 2, 2012 12:08 AM
Subject: Re: [gmx-users] g_dist
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
ICTAS Doctoral Scholar
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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