[gmx-users] P-N vector orientation

[Berk Hess]

Hi,

g_bundle does something similar,
so does g_sgangle (but only for one vector I think).

Berk

> Date: Thu, 12 Feb 2009 10:50:02 -0700
> From: nsapay at ucalgary.ca
> To: aninditagayen at yahoo.co.in; gmx-users at gromacs.org
> Subject: Re: [gmx-users] P-N vector orientation
> CC: 
> 
> Hello,
> 
> I just remember that you might be interested by g_tilt developed by 
> Patrick Fuchs.:
> 
>     http://www.dsimb.inserm.fr/~fuchs/download/
>     <http://www.dsimb.inserm.fr/%7Efuchs/download/>
> 
> 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.
> 
> Nicolas
> 
> ANINDITA GAYEN a écrit :
> > 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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