VMD-L Mailing List

From: Randall Hall (rhall_at_lsu.edu)
Date: Mon Jun 28 2004 - 10:14:20 CDT

Hello, I have a question about how VMD is displaying an isosurface I
have created in .plt format. As a test, I created a gaussian density
centered at the origin of the box. When the isosurface is displayed, I
see a sphere for large isovalues, as I expect. When I reduce the
isovalue, the sphere grows in size until the sides bump into the walls
of the box and "holes" develop in the sphere. What is surprising to me
is that the holes do not appear symmetrically. It appears that the
isosurface is truncated before it hits the wall in positive x, y, and z
directions. That is, the sphere never reaches 3 of the size box sides.
  Can anyone explain why this truncation is happening? thanks

Randall W. Hall
Professor of Chemistry
Louisiana State University
Baton Rouge, LA 70803-1804
Email: rhall_at_lsu.edu Web: http://chemistry.lsu.edu/hall
Phone: 225-578-3472 Fax: 225-578-3458