[gmx-users] Re: gmx-users Digest, Vol 83, Issue 106

[sa]

Thank you Angel, I will try your suggestion.

Cheers

SA

>
>
>
> 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.
>
>
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