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<P><FONT SIZE=2>Hi David,<BR>
<BR>
Yes, it should be a vector as it is a difference between the center of mass of two groups in<BR>
x,y, and z directions. Then, negative means an opposite direction. Is that right?<BR>
<BR>
Abu Naser<BR>
<BR>
School Of Life Sciences<BR>
Heriot-Watt University<BR>
Edinburgh EH14 4AS<BR>
Email: mn2@hw.ac.uk<BR>
Phone: +44(0)1314518265<BR>
Fax : +44(0) 131 451 3009<BR>
<BR>
<BR>
<BR>
<BR>
<BR>
<BR>
-----Original Message-----<BR>
From: gmx-users-bounces@gromacs.org on behalf of David van der Spoel<BR>
Sent: Tue 25/09/2007 9:42 AM<BR>
To: Discussion list for GROMACS users<BR>
Subject: Re: [gmx-users] g_dist<BR>
<BR>
Naser, Md Abu wrote:<BR>
><BR>
><BR>
> Hi all user,<BR>
><BR>
> I have just calculated a distance between backbone and side chain of the<BR>
> same protein. I get<BR>
> negative distance along x and y direction. What dose negative distance mean?<BR>
><BR>
please be more specific. is that a vector?<BR>
<BR>
> Thanks in advance.<BR>
><BR>
><BR>
> Abu Naser<BR>
><BR>
> School Of Life Sciences<BR>
> Heriot-Watt University<BR>
> Edinburgh EH14 4AS<BR>
> Email: mn2@hw.ac.uk<BR>
> Phone: +44(0)1314518265<BR>
> Fax : +44(0) 131 451 3009<BR>
><BR>
><BR>
><BR>
><BR>
><BR>
> ------------------------------------------------------------------------<BR>
><BR>
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<BR>
<BR>
--<BR>
David van der Spoel, Ph.D.<BR>
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.<BR>
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.<BR>
spoel@xray.bmc.uu.se spoel@gromacs.org <A HREF="http://folding.bmc.uu.se">http://folding.bmc.uu.se</A><BR>
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