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Hi,<br><br>g_bundle does something similar,<br>so does g_sgangle (but only for one vector I think).<br><br>Berk<br><br>> Date: Thu, 12 Feb 2009 10:50:02 -0700<br>> From: nsapay@ucalgary.ca<br>> To: aninditagayen@yahoo.co.in; gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] P-N vector orientation<br>> CC: <br>> <br>> Hello,<br>> <br>> I just remember that you might be interested by g_tilt developed by <br>> Patrick Fuchs.:<br>> <br>> http://www.dsimb.inserm.fr/~fuchs/download/<br>> <http://www.dsimb.inserm.fr/%7Efuchs/download/><br>> <br>> Its purpose is to calculate the orientation of an helix in a bilayer, <br>> however it might tweaked to calculate the NP dipole orientation. I've <br>> done that one time, but it was only for a particular lipid in a <br>> membrane, not for the whole bilayer. IIRW, the result was the same than <br>> the one of my scripts and the calculation was much faster.<br>> <br>> Nicolas<br>> <br>> ANINDITA GAYEN a écrit :<br>> > Dear Xavier Periole<br>> > I am a GROMACS user, presently working with DMPC <br>> > bilayer.. I want to calculate the orientation of the head groups P-N <br>> > vector. From gmx-users, I have came to know that you have a program <br>> > that can determine the angle of the PN vector (or what ever pair of <br>> > atoms) relative to the z axis.<br>> > If possible, can you please provide me that program or tell me how can <br>> > i calculate that?<br>> ><br>> > Thanks in advance.<br>> ><br>> > Ms. Anindita Gayen<br>> > C/O Dr. Chaitali Mukhopadhyay<br>> > Senior Research Fellow<br>> > Department of Chemistry<br>> > University of Calcutta<br>> > 92, A. P. C. Road<br>> > Kolkata-700 009<br>> > India<br>> ><br>> ><br>> > ------------------------------------------------------------------------<br>> > Add more friends to your messenger and enjoy! Invite them now. <br>> > <http://in.rd.yahoo.com/tagline_messenger_6/*http://messenger.yahoo.com/invite/> <br>> ><br>> > ------------------------------------------------------------------------<br>> ><br>> > _______________________________________________<br>> > gmx-users mailing list gmx-users@gromacs.org<br>> > http://www.gromacs.org/mailman/listinfo/gmx-users<br>> > Please search the archive at http://www.gromacs.org/search before posting!<br>> > Please don't post (un)subscribe requests to the list. Use the <br>> > www interface or send it to gmx-users-request@gromacs.org.<br>> > Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br>> <br><br /><hr />Express yourself instantly with MSN Messenger! <a href='http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/' target='_new'>MSN Messenger</a></body>
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