Jerry_ICCAS的博客

An example of how to do a simulation by LAMMPSThe polymer chain of 100 atoms was specially prepared in MATLAB. The atom's Z coordinate does not varies much, all of them are within 2 Å. The distanc

准备工作：安装csh: sudo apt-get install csh（这一步在软件的安装说明中没有提及。）安装VMD：这个步骤和说明文档ig.pdf 中一样。需要对安装进行定制的可以参阅安装文档。$: ./configure LINUX$: cd src/$: make install至此安装安成。在terminal窗口中输入vmd，若成功打开V

cmake .. -DGMX_BUILD_OWN_FFTW=OFF -DREGRESSIONTEST_DOWNLOAD=OFF -DCMAKE_INSTALL_PREFIX=/public/home/fenglk/Program/gromacs512/ -DGMX_SIMD=AVX_256 -DREGRESSIONTEST_PATH=/public/home/fenglk/Program/grom