[gmx-users] lipid molecular director axis definition

Mohsen Ramezanpour ramezanpour.mohsen at gmail.com
Fri Nov 10 00:21:24 CET 2017

Hi Everyone,

I have a system formed of lipids (DOPE). I would like to know the average
angle of the "molecular director axis" with z-direction. Using g_angle it
should be easy. However, my question is regarding the molecular director

Is there any definition for how to determine a "lipid molecular axis"?

If yes, is this definition applicable to all lipids, e.g. PC, PE, PS
lipids, disregards the angle the headgroups makes with the lipid/water

I looked at the literature but I could not find any definition.
For instance, such an angle was calculated in the following article.


However, I could not find how the molecular director axis was defined.

Thanks in advance for your reply


*Rewards work better than punishment ...*

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