Dear All,

I was wondering if anyone can enlighten me on how order parameters are 
calculated for unsaturated carbons (eg. carbons 9 and 10 on oleoyl chains)on 
g_order. 

I understand how they are calculated for saturated carbons. I thought I 
understood how they are done for unsaturated carbons but apparently not!

The reason for my query is that a collaborator in London has a NAMD trajectory 
of a related membrane bound protein (we, of course have a gmx trajectory!)
On the Tcl script that the collaborator had generated we are getting 
significantly different values to that generated from g_order. 

Sometime ago (in my PhD days over in Edinburgh Univ.) I enquired about the 
possibility of setting up a gromacs users meeting!
Some of you suggested having something in the summer....

I'm prepared to help!

kind regards

Kia

-- 
Kia Balali-Mood PhD, CBiol, MIBiol
Postdoctoral Research Associate, Department of Biochemistry, 
Oxford University, OX1 3QU, UK
sansom.biop.ox.ac.uk/kia/ , tel. +44 (0)1865 275 (380 or 275)