[gmx-users] Orientation of DMSO

[David van der Spoel]

Dinesh Pinisetty wrote:
> Hello,
> 
>             As suggested I tried using g_order with an .ndx file for 
> only DMSO molecules. I did get an output file which did not have 
> anything in it.
> 
> # This file was created by g_order which is part of G R O M A C S:
> 
> # GROningen MAchine for Chemical Simulation # All this happened at: Thu 
> Mar 29 17:00:05 2007#
> 
> @ title "Order tensor diagonal elements"
> 
> @ xaxis label "Atom"
> 
> @ yaxis label "S"
> 
> @TYPE xy
> 
> I did not get any data, what I desire to achieve is to get an 
> orientation profile for DMSO molecules. Can anyone please suggest me how 
> to achieve it.
> 
> Sincerely,
> 
> Dinesh.
>
I didn't follow this thread, but g_order is not what you want. You may 
want to try g_dipoles -sl instead.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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