[gmx-users] P-N vector orientation

Nicolas nsapay at ucalgary.ca
Thu Feb 12 18:50:02 CET 2009


I just remember that you might be interested by g_tilt developed by 
Patrick Fuchs.:


Its purpose is to calculate the orientation of an helix in a bilayer, 
however it might tweaked to calculate the NP dipole orientation. I've 
done that one time, but it was only for a particular lipid in a 
membrane, not for the whole bilayer. IIRW, the result was the same than 
the one of my scripts and the calculation was much faster.


> Dear Xavier Periole
>                      I am a GROMACS user, presently working with DMPC  
> bilayer.. I want to calculate the orientation of the head groups P-N 
> vector. From gmx-users,  I have came to know that you have a program 
> that can determine the angle of the PN vector (or what ever pair of 
> atoms) relative to the z axis.
> If possible, can you please provide me that program or tell me how can 
> i calculate that?
> Thanks in advance.
> Ms. Anindita Gayen
> C/O Dr. Chaitali Mukhopadhyay
> Senior Research Fellow
> Department of Chemistry
> University of Calcutta
> 92, A. P. C. Road
> Kolkata-700 009
> India
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