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,
Slawomir
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
45071 Orléans CEDEX 2
France
E-Mail : [email protected]
E-Mail : [email protected]
URL : http://dirac.cnrs-orleans.fr
Synchrotron SOLEIL - Division Expériences
Saint Aubin - BP 48
91192 Gif-sur-Yvette CEDEX
France
Tel : +33 (0)1 69 35 97 51
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