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

Ángel Piñeiro angel.pineiro at usc.es
Tue Mar 15 18:40:39 CET 2011


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. 
> 
> 
> 
> -- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110315/5e7f8294/attachment.html>


More information about the gromacs.org_gmx-users mailing list