VMD is a molecular visualization program for displaying, animating and analyzing large biomolecular systems using 3D graphics and built-in scripting. Delta HPC has developed a set of plug-ins for VMD providing specialized tools and interfaces for use within our SGI Onyx 3400-powered, fully digital 4-wall CAVE for immersive stereo visualization of molecular structures, as well as CAVE-enabled, user-steered molecular dynamics using closely-coupled NAMD calculations on our SGI Origin system. We also have BioCORE capabilities within VMD for multi-site laboratory collaboration while in the CAVE.