[gmx-users] Position of a molecule in a bilayer

Rama Gullapalli quantrum75 at yahoo.com
Tue Mar 21 19:12:05 CET 2006


Dear GMX ers
 I would like to compute the position of a small molecule inside a lipid bilayer as a function of its position along the Z axis. Which GMX program is best suited for this?
 
 I tried using g_traj, but I got some weird results when i computed the COM position of a DPPC molecule. The COM position of DPPC was crossing the center of the lipid bilayer which is weird.
 Thanks
 Rama
 
		
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