[gmx-users] Lipid Head group Orientation

[Nidhin Thomas]

Hi GROMACS Users,

This question was asked before in the forum. But I could not find a complete answer. So I’m asking again. Is there any command in GROMACS that can give the orientation of lipid head groups of all lipids averaged over time?

I wrote a code which takes the co-ordinates of P and N atoms at each time frames and gives the orientation of P-N vector averaged over the time. I was wondering if there is any command in GROMACS that can provide this data directly ?

I used g_sgangle command to obtain the angles of one lipid molecule. But how do we get the data for all lipids in one file?

Thanks,
Nidhin Thomas
University of Houston