[gmx-users] g_order for DPC alkyl chain in the micelle

[Ángel Piñeiro]

Hi
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:

S_i=(3 cos(\theta)-1)/2 

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...

Cheers,

Ángel.



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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