[gmx-users] Fluctuation from mean position in one direction

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jul 19 07:28:15 CEST 2011


On 19/07/2011 12:16 PM, Sławomir Stachura wrote:
> Hi GMX-Users,
> I am analysing my POPC membrane simulation and I want to calculate average fluctuation from mean postion of POPC lipids in perpendicular direction to membrane surface (Z-direction) to grasp that kind of motion. I've searched through mailing list and manual, but couldn't find any solution. Maybe someone has an idea how to achieve that? I'd be grateful for any help.

Since there exists no shrink-wrapped solution, you'll have to develop 
one. Express mathematically what you want to observe, and then consider 
how g_traj and g_analyze might be used to achieve it.

Mark



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