Subject: G94: MaxCycle ?

From: Krzysztof Radacki <[email-masked]>
Date: Tue, 12 May 1998 13:30:45 +0000

Dear CCL'ers
I've set in my input line SCF=(MaxCycle=100)
How should I understand  such a line in Gaussian log file:

"Number of steps in this run= 37 maximum allowed number of steps= 100.

It means that Gaussian will calculated up to 37 steps or 100?

--
Krzys Radacki

[email-masked]

>From [email-masked] Tue May 12 13:03 EDT 1998
Date: Tue, 12 May 1998 13:03:24 -0400 (EDT)
From: Deepak  Singh <[email-masked]>
To: [email-masked]
Subject: INSIGHT97 vs QUANTA

Hi everyone,

	Could people who have had experience with both tell me which is
better where interaction with CHARMM (running in batch mose) is concerned.
In my experience, INSIGHT97 is more powerful, but especially where CHARMM
is concerned, QUANTA is more convenient.  

Regards

Deepak.

--------------------------------------------------------------------------------
Deepak Singh
Grad Asst, Dept. of Chemistry,                                  
1-014 Scitech, Syracuse University, 
Syracuse,NY 13244.                                         
Tel: 315-443 1739
Fax: 315-443 4070
e-mail: [email-masked]   	URL : http://web.syr.edu/~desingh

.............and the Sun was eclipsed by the Moon.
--------------------------------------------------------------------------------