1.依赖 参考ambermd.org 2.解压 tar xvf AmberTools20.tar.bz2&&tar xvf Amber20.tar.bz2 或者,拥有AmberTools21和Amber20 tar xvf AmberTools20.tar.bz2&&tar xvf Amber20.tar.bz2 3.升级 cd amber20_src ./update_amber --upgrade ./up