Messages

1

General Questions and Answers / How to restart ATK?

« on: October 22, 2013, 03:49 »

 I failed to start the ATK this morning.When I clicked it,a dialogue window entitled "Virtual Nanolab License Error" showed up,how can I solve this problem?
Thanks very much.

2

General Questions and Answers / Re: How to optimize a large molecule?

« on: October 12, 2013, 16:10 »

I sincerely thank for your answer.I have found out the crux of  my problem just after I posted the note this morning:When I created my molecule ,I forgot to fuse one of  superpositioning atom!When the calculation began,it always reminded me of my probable problem,but I couldn't really understood what it meant.Maybe the next time I should also posted the warning VNL gave me on the forum.
Thank you very much,Nordland.

3

General Questions and Answers / How to optimize a large molecule?

« on: October 12, 2013, 03:21 »

I have designed a new molecule which contains totally 7 benzenes and 2 oxygen atoms.Then I tried to optimize its geometric structure on VNL but I failed many times.I wonder how large should my molecule be may it be optimized successfully on VNL?
Thanks for your answering.