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 [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
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