Subject: MM3 wanted

From: "Gennady M. Makeev" <[email-masked]>
Date: Mon, 31 Jul 1995 17:10:42 +0300 (BT)

Hi all!
         Can somebody tell me where I can get MM3 molecular mechanics
program for IBM PC? Thanks in forward!

                                  Gennady M. Makeev
---
Gennady M. Makeev            Zelinsky Institute of Organic Chemistry
E-MAIL:                              Moscow, Russia
 [email-masked]       (095)-135-90-89 (sometimes I am even
                              available on Saturdays and Sundays)

* IRC Channel #Makeev ** IRC NICK Makeev ** PGP key available on request *

---

From: Shubin Liu <[email-masked]>
Date: Mon, 31 Jul 1995 10:10:31 -0400 (EDT)

Dear CCLers:
	
	It is said that to get the density, its gradient and Laplacian 
of a molecule from Gaussian code directly, one just chooses to  use 
"Cube=density", "Cube=gradient" or "Cube=divergence" in command line and 
append some data in some format to specify the starting point and grid 
choice at the end of the input file. I tried several times, unfortunately, 
they didn't work. For the first command "cube=density", what I obtain  
is just a unreadable file, while for the later two commands, the program 
just skips them, with no result at all.
	Can someone kindly point out what happened and give me helps 
about how to get them correctly?  Thanx a lot!

Shubin  
.............................................................................
Shubin Liu

Department of Chemistry			    Email: [email-masked]
Kenan Hall A207, CB# 3290                          [email-masked]
University of North Carolina		    Tel  : (919) 914-6923 (Home) 
Chapel Hill, NC 27599-3290		           (919) 962-0150 (Office) 
USA                                         Fax  : (919) 962-2388
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