我有cold和cnew,但是我不能将每个分子的z坐标的值与这两个值进行比较,因为它们被认为是字符串而不是浮点。 f.write("%0.5s\n"%c) BF4=universe.atoms.select_atoms("resname BF4 and prop z >= cold and prop z<= cnew")
这就是我所拥有的:[21:20:54] warning(200): C:\CNew.g:188:2: Decision can matchalternatives: 1, 2[21:20:54] warning(200): C:\CNew.galternatives: 2, 3
As a result, alternative(s) 3 were disabled for t