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

Sławomir Stachura stachura.slawomir at gmail.com
Tue Jul 19 12:02:15 CEST 2011

Hi Mark,
Thank you for your quick reply. So it seems that I have to do it on my own. It's always good to ask  - it's not productive to reinvent the wheel.
Best wishes,

Wiadomość napisana przez Mark Abraham w dniu 2011-07-19, o godz. 07:28:

> 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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Sławomir Stachura
Centre de Biophysique Moléculaire, CNRS
Rue Charles Sadron
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E-Mail : slawomir.stachura at cnrs-orleans.fr
E-Mail : stachura.slawomir at gmail.com
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Synchrotron SOLEIL - Division Expériences
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