[gmx-users] g_order for DPC alkyl chain in the micelle
angel.pineiro at usc.es
Tue Mar 15 18:40:39 CET 2011
very recently I faced the same problem with a system that gives micelles
of different geometries and, as far as I saw, g_order don't do that.
Then I decided to compute a kind of local order parameters defined as:
where theta is the angle between the segments joining the carbon atoms
(i-1,i+1) and (i, i+2) in a linear C-chain. Perhaps you find this
reasonable for your analysis...
On Mon, 2011-03-14 at 18:25 +0100, sa wrote:
> Dear all,
> I would like to compute the order parameter tensor elements of a DPC
> micelle with respect to a vector direction (for example the vector
> from the
> center of mass of the micelle to the phosphorus atom). It is possible
> with g_order (4.5.3). if yes how ?
> Thank you in advance.
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