[gmx-users] order parameter for unsaturated chains

afsaneh maleki maleki.afsaneh at gmail.com
Tue Jan 5 12:52:24 CET 2010


I want to obtain order parameter for unsaturated carbons (eg. 9, 10) on
oleoyl (18 carbons) chains.

i use -Scd= 2/3 Sxx +1/3 Syy for the saturated carbons.
I try to calculate order parameters for unsaturated carbons, which is
defined as:
Scd=1/4Szz + 3/4 Syy + sdr(3)/2 Syz   , with ignore third term (sqr(3)/2
Syz) :

but i don't know do i  use this correlation for 8, 9 carbons or 9,10 ?
because the segmental vector Cn-1 to Cn+1 is taken as the molecular axis of
the Cn methylene group.

thanks in advans,
Afsaneh Maleki
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