[gmx-users] P-N vector orientation

XAvier Periole x.periole at rug.nl
Tue Feb 10 16:58:57 CET 2009

Hi Anindita,

This program I had a long time ago and unfortunately it has been lost  
during my movings.

I think you should try to contact:
Andrei. Gurtovenko
Biophysics and Soft Matter Group
Laboratory of Physics
Helsinki University of Technology
P.O.Box 1100
FIN-02015 HUT
Tel.: +358-9-4515803
e-mail: agu at fyslab.hut.fi

He had a version and if my memory is correct he modified it to an even  

It would actually be useful if someone could post a existing version  
of PN orientation.


On Feb 10, 2009, at 2:12 PM, ANINDITA GAYEN wrote:

> 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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