老师太serious, 晶体解析求助?你处理的很好啊,SADI用的也可以啊。可以将N也做part -1处理,但是最后还是需要sadi指令,怀疑提出问题的人没有自己动手操作... 老师水平不用怀疑,请看老师下面一段话: Me: I ues SADI to solve the first problem (bond distances for all N-C bonds in Et4N(+) should be the same. ANSWER: the problem is that as you did it now the Et-groups will be moved to nitrogen and not other way around (N1 is placed on special position) Something is missing.查看更多