[gmx-users] Lipid Head group Orientation
nidhin.thomas0624 at gmail.com
Fri May 27 01:49:57 CEST 2016
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?
University of Houston
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