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AMBER Archive (2005)Subject: AMBER: About Gaussian Key Words
From: Katagiri Daisuke (k-dai_at_graduate.chiba-u.jp)
Dear Amber Users,
I am trying to make the charges of new molecules in the same condition
I understand that I should use the besis sets of HF/6-31G** and
And I understand that the IEFPCM method and the Gaussian key word of
(I referred to the paper of J Comput Chem 24: 1999-2012, 2003)
But I still have any question for the Gaussian key words.
1. Which Gaussian key words of iop options should I use?
My Gaussian key words is as following:
I'd appreciate it if any one could tell me the recommendatory key words.
Thank you very much.
Best wishes,
Daisuke
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