The Department of Chemistry at UNC-CH proposes to establish a laboratory for molecular modeling and simulation in support of a wide range of biologically related projects, many of which have NSF support. The proposed computing facility would consist of a six processor SGI R10000 Challenge server, a single processor SGI R4400 Solid Impact workstation and a HP color/bw printer. The system planned would have adequate memory and disk storage to provide for molecular dynamics simulations on very large solvated biomolecular systems and electronic structure calculations on large molecular systems some of which include transition metals ions. The workstation will provide for high resolution molecular graphics to support the planned research. Software necessary to accomplish molecular graphics, molecular modeling and electronic structure calculations is also included.
