NAMD-LITE AND MOLECULAR SIMULATION METHODS DEVELOPMENT

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This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. NAMD-Lite (http://www.ks.uiuc.edu/Development/MDTools/namdlite/) is a rapid prototyping framework for developing new simulation methods for biomolecules, consisting of sequential C language code with a modular design. The intention is to separate the development of methods from the additional complication due to parallel implementation, providing a simpler way to test and validate new methods before bringing them into NAMD (http://www.ks.uiuc.edu/Research/namd/). The source code is distributed under the University of Illinois/NCSA Open Source License to allow scientists complete freedom to use and modify the code.