Development of methods and software to make productive use of parallel MIMD machines for use in macromolecular simulations is underway. The initial global communication approach has been successful in providing an efficient full feature version of CHARMM. This parallel version of CHARMM has been extended to run on almost any MIMD parallel computer platform. Our current development effort involves a scalable algorithm that promises to greatly reduce the communication cost for very large MPP machines or for large workstation clusters. Current projects include: a. Workstation clusters -Development and optimal utilization of a high speed workstation cluster of HP735s -Development of parallel QM/MM methods b. Large scale parallel computers -Development and evaluation of parallel algorithms for molecular dynamics -Development and support of parallel CHARMM -A scalable molecular dynamics algorithm for MPP machines and large workstation clusters c. Other development efforts -Development of efficient Macintosh software for macromolecular modeling -Development of ray-traced molecular graphics software for HP workstations, high resolution color printers, and for movies using NTSC video equipment -Development of video editing and titling software for molecular movies
