PyCGTOOL is a tool to aid in parametrising coarse-grained (CG) molecular mechanics models of small molecules, for example for simulations using the popular MARTINI model. It generates coarse-grained model param
Government works, or worksproduced by employees of any Commonwealth realm Crown government in the courseof their duties.Application NotePyCGTOOL: Automated Generation of Coarse-grainedMolecular Dynam... 文档格式:PDF | 页数:12 | 浏览次数:4 | 上传日期:2017-04-01 15:52:32 | 文档星级: ...