[gmx-users] P-N vector orientation

Nicolas nsapay at ucalgary.ca
Wed Feb 11 18:14:20 CET 2009


Is that thread solved? I've got a bunch of TCL scripts for VMD that can 
do this calculation. They are not really user friendly or incredibly 
fast, but they give a correct answer. I can send those scripts off the 
list if you are interested.


> 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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