From chemistry-request@server.ccl.net Thu Aug 15 14:41:50 2002
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Date: Thu, 15 Aug 2002 13:36:36 -0500
To: chemistry@ccl.net
From: "Scott E. Boesch" <sboesch@chemdept.chem.ou.edu>
Subject: basis set in GAMES-US
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Hello,

Do you have to do anything special to read in a basis set that is not a part
of the library for GAMESS-US?
I'm interesting in using some of the correlation consistent basis sets ( 
cc-pVDZ, for example)
I obtained the basis sets I was interested in from
http://www.emsl.pnl.gov:2080/forms/basisform.html
I guess I have some problems with formatting in the $DATA group.
Right after the $DATA there is usually the point group followed by
the coordinates.

Has anyone  either used these type of basis sets in GAMESS-US or read in 
other  basis
sets?

Thanks for any information you can provide.

Regards,

Scott

Scott E. Boesch                          Voice:  405-325-5159
Department of Chemistry                  Fax:  405-325-6111
University of Oklahoma


From chemistry-request@server.ccl.net Thu Aug 15 16:28:08 2002
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From: <jz7@duke.edu>
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Subject: Question about Macromodel
Date: Thu, 15 Aug 2002 16:24:34 -0400
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Hi, there,

WHen I try to run a energy minimization with MM3* force field in 
Macromodel, I always have the following error message. I can't do energy 
calculation with that warning. Can someone help me with it? 

Here is the warning message:

WARNING : MMPROJ ERROR(-4): mmproj_incorporate_job()(): 
	Failed to open structure 
file '/home/london/jz7/.schrodinger/tmp/tmp.out' for reading. The job may 
have failed

Thanks a lot!

Sincerely,
Jenny