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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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