From: Sacerdoti, Federico (
Date: Tue Jun 27 2006 - 09:24:16 CDT


We are running into performance problems with VMD analysis of very large
systems (300,000 atoms), especially when the "CPK" mode is used to
render all atoms as spheres. The machine running VMD immediately slows
to a crawl when asked to rotate the system. It has a 3.4GHz Xeon cpu,
2GB of ram, and runs Windows XP.

I am tempted to immediately upgrade the video card of the machine, but I
wonder if there are other bottlenecks. Does this list know if more CPU
or memory would be necessary (or just as effective)? More CPU would mean
running VMD on a multi-processor SMP, and more memory would mean on the
order of 4-8GB.


D.E.Shaw Research LLC
New York NY