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From ps@ocisgi7.unizh.ch Fri Feb 17 03:12:52 1995
From: ps@ocisgi7.unizh.ch (Serge Pachkovsky)
Message-Id: <9502170812.AA08432@ocisgi7.unizh.ch>
Subject: Upload of mopac7.zip to ccl.net
To: jkl@ccl.net
Date: Fri, 17 Feb 1995 09:12:43 +0100 (MET)

Hi Jan,

I had uploaded to www.ccl.net:/incoming YAM7D (Yet Another Mopac7 for
DOS ;-) under the name of mopac7.zip.  There are two versions (mopac7.dos.big 
and mopac7.dos.sml) inside the archive, an extender program (go32.exe) 
needed to run executables (i.e., to start mopac, you'll have to 
say go32 mopac7.sml or go32 mopac7.big, as well as the changes (in the patch
format) I made to the sources. 
[ jkl: the mopac7.sml and mopac7.big were compressed with ZIP program,
*  you needs to unzip these files before you can use them with go32.exe.
*  you can get the UNZIP program from these archives from the directory:
*  /pub/chemistry/software/MS-DOS/UNZIP
]
Small version will run under
enhanced mode Windows (with minimum of 10M of virtual memory configured),
but does not include Green functions correction to the IPs and 
electrostatic potential computations. Additionally it is limited
to 15 heavy atom and 20 hydrogens. Large version won't run under Windows
in any reasonable configuration, but should be able to do everything the 
workstation version of Mopac7 can, provided that number of heavy atoms is 
below 60 (plus 60 hydrogens). 

With my best regards,

/Serge.P

-----------------
Added by Jan Labanowski
jkl@ccl.net

There are following files in here:
    size Name
    xxxx README                  --- this file
  399951 changes                 --- file with changes to the mopac7 sources
   78810 go32.exe                --- DOS extender, see above how to use it
 3541222 mopac7b.zip             --- compressed (zipped mopac7.big)
 1725514 mopac7s.zip             --- compressed (zipped mopac7.sml)
     512 old-version.95.02.17    --- directory containing previous version

March 12, 1995

The older version was moved to the old-version.95.02.17 directory.

From ps@ocisgi7.unizh.ch Fri Mar 10 05:33:12 1995
From: ps@ocisgi7.unizh.ch (Serge Pachkovsky)
Subject: Re: Upload of mopac7.zip to ccl.net
To: jkl@ccl.net
Date: Fri, 10 Mar 1995 11:33:03 +0100 (MET)

Some time ago, I wrote:
> Sorry, looks like I'd prefer to delay it a bit - I was notified that
> there are problems with COSMO inplementation in Mopac 7, and I

Finally, I had a spare day to look at it, and, although my fix is
rather crude (and should be relatively painful performance-wise),
COSMO seems to work now. Probably, some nice net-person will be able
to produce a better solution, but it's certainly not going to be
humble myself, since my usual interests (and duties) are lying elsewhere ;-] 
       .............

/Serge.P aka Serge Patchkovsky
Modified: Thu Mar 16 17:00:00 1995 GMT
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