<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 TRANSITIONAL//EN">
<HTML>
<HEAD>
<META HTTP-EQUIV="Content-Type" CONTENT="text/html; CHARSET=UTF-8">
<META NAME="GENERATOR" CONTENT="GtkHTML/3.24.1.1">
</HEAD>
<BODY>
Then, please, let us know how it works for your systems. The results for my systems were exactly as expected. This allows to evaluate the order of the C-chains regardless their orientation... but I do not know if there is a better method to do this. I would be happy to know the opinion of anyone else who want to try this or to propose an alternative method.<BR>
<BR>
Cheers,<BR>
<BR>
Ángel.<BR>
<BR>
<BR>
<BR>
On Wed, 2011-03-16 at 09:42 +0100, sa wrote:<BR>
<BLOCKQUOTE TYPE=CITE>
Thank you Angel, I will try your suggestion.<BR>
<BR>
Cheers<BR>
<BR>
SA
</BLOCKQUOTE>
<BLOCKQUOTE TYPE=CITE>
<BLOCKQUOTE>
<BR>
<BR>
<BR>
Hi<BR>
very recently I faced the same problem with a system that gives micelles<BR>
of different geometries and, as far as I saw, g_order don't do that.<BR>
Then I decided to compute a kind of local order parameters defined as:<BR>
<BR>
S_i=(3 cos(\theta)-1)/2<BR>
<BR>
where theta is the angle between the segments joining the carbon atoms<BR>
(i-1,i+1) and (i, i+2) in a linear C-chain. Perhaps you find this<BR>
reasonable for your analysis...<BR>
<BR>
Cheers,<BR>
<BR>
Ángel.<BR>
<BR>
</BLOCKQUOTE>
</BLOCKQUOTE>
<BLOCKQUOTE TYPE=CITE>
-- <BR>
gmx-users mailing list <A HREF="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A><BR>
<A HREF="http://lists.gromacs.org/mailman/listinfo/gmx-users">http://lists.gromacs.org/mailman/listinfo/gmx-users</A><BR>
Please search the archive at <A HREF="http://www.gromacs.org/Support/Mailing_Lists/Search">http://www.gromacs.org/Support/Mailing_Lists/Search</A> before posting!<BR>
Please don't post (un)subscribe requests to the list. Use the <BR>
www interface or send it to <A HREF="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</A>.<BR>
Can't post? Read <A HREF="http://www.gromacs.org/Support/Mailing_Lists">http://www.gromacs.org/Support/Mailing_Lists</A>
</BLOCKQUOTE>
</BODY>
</HTML>