This subproject is one of many research subprojects utilizing theresources provided by a Center grant funded by NIH/NCRR. The subproject andinvestigator (PI) may have received primary funding from another NIH source,and thus could be represented in other CRISP entries. The institution listed isfor the Center, which is not necessarily the institution for the investigator.I request a development allocation (DA) to determine the scalability of NAMD molecular dynamics simulations on an explicitly solvated protein model consisting of ~ 65000 atoms. The goal of this DA would be to run tests using this model on the Lemieux/Rachel system so as to know the precise SU requirements for a Production Proposal of increased scope to be submitted to the Teragrid MRAC this coming September.
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