到底怎样用基团贡献法来估算二元组分的交互参数? 提示的是: structure for component hcl has not been defined. pces cannot use group-contribution methods to estimate missing properties use the structures paragraph to define structures of this component. 可是我输入了结构啊(导入的.mol文件),为什么还提示没有定义结构? 我太菜了,希望能够指点一下。。查看更多