VMD-L Mailing List

From: Kooser, Ara S (askoose_at_sandia.gov)
Date: Wed Apr 07 2004 - 15:41:25 CDT

Hello all,

   Thank you very much for your help in the past. I have brought in a
Au(111) surface into VMD using .psf and .xyz file. An example from each file
line. The first is the .psf and then .xyz
PSF

       1 !NTITLE
 REMARKS Au surface 1 1 1

       560 !NATOM
1 MAIN 0 UNK Au Au 0.0000000 196.966510
0.0000000

560
Au box with no waters
Au 0.0006200 1.0000000 0.695950

My problem is that I want to be able to select just the gold atoms. I load
the .psf first and then the .xyz. When I type name Au for a representation I
end up with a blank sceen in my OpenGL display. When I bring in water
molecules from a .psf and .xyz I don't have this problem. I need to be able
to select the gold surface and then show all waters within 3 A (this part I
know how to do). Also I would like to be able to bring in a mixed atom
surface and look at individual layers. Thanks.

Ara Kooser