[gmx-users] Lipid Head group Orientation

Nidhin Thomas nidhin.thomas0624 at gmail.com
Fri May 27 01:49:57 CEST 2016


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?

Nidhin Thomas
University of Houston

More information about the gromacs.org_gmx-users mailing list