moltemplate/examples/all_atom/force_field_COMPASS at master · jewettaij/moltemplate 随便带点进去一个例子生成data文件后,查看基本形式: bond_style class2 http://lammps.sandia.gov/doc/bond_class2.html angle_style class2 http://lammps.sandia.gov/doc/angle_class2.html dihedral_style class2 http:/...
in the structure. For example, a carbon atom in a benzene ring has a different forcefield type...
貌似lammps安装包里的classⅡ就是compass，好像是可以ultraedit打开的 MS文件夹的compass.off打开是乱码 赞...
主要是SUN和RIGBY的 Sun, H. "COMPASS: An ab Initio Forcefield Optimized for Condensed-Phase ...