[gmx-users] where is the normalization direction in radial axial g_densmap plots?
Berk Hess
gmx3 at hotmail.com
Mon May 11 19:36:52 CEST 2009
Hi,
Well, there is axial, radial and angular (angle of rotation around the axial direction).
Averaging happens over the radial coordinate.
Berk
Date: Mon, 11 May 2009 18:27:07 +0200
From: mariagoranovic at gmail.com
To: gmx-users at gromacs.org
Subject: [gmx-users] where is the normalization direction in radial axial g_densmap plots?
I made a radial-axial density plot using g_densmap. What one gets out is a 3-D number density as a function of radial and axial distance from the defined axis. So which is the third direction, and how is it averaged out? Sorry if this is a very elementary question
g_densmap -f protein.xtc -s protein.tpr -n proteinndx -o protein.xpm -b 10000 -e 30000 -bin 0.01 -amax 2 -rmax 2 -dmax 40
--
Maria G.
Technical University of Denmark
Copenhagen
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