CCL: Drawing TS for QST2 calculations
- From: "Adil Zhugralin" <zhugrali^^bc.edu>
- Subject: CCL: Drawing TS for QST2 calculations
- Date: Thu, 8 Feb 2007 16:45:36 -0500
Sent to CCL by: "Adil Zhugralin" [zhugrali],[bc.edu]
Dear all:
I'm trying to get 2 molecules to react to give me an adduct. Unfortunately, the
molecules are big (overall ~100 atoms). In GaussView, I find, it is practically
impossible to draw them such that the proper trajectory is maintained and at the
same time get the labeling to be consistent. Any suggestions about how to do it?
Any software that could assist in creating creating starting material MolGroups?
Thanks in advance.
Sincerely,
Adil