[gmx-users] Re: gmx-users Digest, Vol 83, Issue 106
sagmx.mail at gmail.com
Wed Mar 16 09:42:08 CET 2011
Thank you Angel, I will try your suggestion.
> 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...
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