VMD-L Mailing List

From: Berit Hinnemann (bhinnema_at_Princeton.EDU)
Date: Thu Jun 29 2006 - 13:42:05 CDT

Dear John, Axel and all other VMD developers/users,

 

About a month ago I asked a question on how to plot a Gaussian cube file. I
have now written a converter for VASP charge density files to Gaussian cube
and everything works very well. There is one thing, however, which I do not
understand, when I make a volume slice plot, I cannot figure out to adjust
the color scale and I do not understand how it is chosen. I saw that there
is something about the color scale under "Trajectory" but I am not sure how
to use it. Also, is it possible to display a color bar, which shows which
color corresponds to which value? Also, can these things be done in the
graphic interface, or does one need to use tcl?

 

Typically, the volumetric data is from 0 to some value and all positive (if
it is the charge density), or centered around 0 (charge density difference).

 

Thanks! Best, Berit

 

Berit Hinnemann, Ph.D.
Princeton University
Department of Mechanical and Aerospace Engineering
D310 Engineering Quadrangle
Princeton, NJ 08544
email: bhinnema_at_princeton.edu
tel: (609)-258-2651
fax: (609)-258-5877