CHARMM

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最新版本: 
3.6
评分: 
4

CHARMM程序用于大分子的模拟,包括能量最小化,分子动力学和蒙特卡罗模拟。与Accelrys公司Quanta所含的CHARMm老版本不同,这一版本还包含了很多新的功能。目前提供到CHARMM接口的量子化学程序有:GAMESS-US,GAMESS-UK,Q-Chem,和CADPAC。相关的工具程序有:VMD,gOpenMol,Babel,和Rasmol。