Subject: MOLGEN revitalized http://www.ccl.net/cca/software/MS-DOS/molgen

From: Jan Labanowski <[email-masked]>
Date: Mon, 23 Jul 2001 00:43:51 -0400 (EDT)

Thanks to Prof. Vaneica Young from UFL we have an excellent addition to our
archives. An updated MOLGEN package. What follows is the readme.txt file
(with small modifications to update locations of current version).

Thank you a lot Vaneica!

Jan Labanowski
[email-masked]
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Greetings!  J. Eric Stone made available an excellent molecular modeling and
estimation program called Molgen.  For details, see the file below:

ftp://ftp.ccl.net/pub/chemistry/software/MS-DOS/molgen/README

http://www.ccl.net/cca/software/MS-DOS/molgen/

This program installs and runs with no problem on a 25 MHz IBM PS/1 computer
with the WIN3.1 operating system.  However, on a Pentium II 60 MHz computer
(WIN95), a DELL latitude 700 MHz (WIN98), an IBM Thinkpad 900 MHz (WIN98) and
a Gateway E-3400 800 MHz (WIN2000), a runtime 200 error occurs.  I have now
tracked down that error.  You may read about it at the address below.

Http://www.merlyn.demon.co.uk/pas-r200.htm#why

Molgen.exe, startmop.exe and startamp.exe are all affected.  Fortunately,
using an EXE patch by Andreas Stiller, the problem may be corrected.  This
patch may be found at

ftp://ftp.heise.de/pub/ct/ctsi/ctbppat.zip

I have used this patch to correct the aforementioned programs, and now molgen
runs without a problem on the computers listed above.  The program molgen.zip
will make it easier for you to install the program.  Just unzip it to your
hard drive (C:\, D:\, etc.)  In your autoexec.bat, add the line

SET MOLGENTEMP=C:\MOLGEN

or some such path for the temporary files generated. Alternatively, you may
assign the user varable molgentemp under system properties in windows.
For example, for Windows 2000 go to CONTROL PANEL, then SYSTEM, then ADVANCED,
then ENVIRONMENTAL VARIABLES.  Under USER VARIABLES, select NEW.  Enter
molgentemp as the variable name and C:\molgen as the value (for example).
The user manuals may be found in the original directory

ftp://ftp.ccl.net/pub/chemistry/software/MS-DOS/old-molgen/

Note: startmop.exe does not work with Mopac150, which is a WIN95 program,
so don't replace mopac.exe with the Mopac150 executable.  I think its great
that people like Eric make it possible for poor university professors like
me to do quality research!

Vaneica Young
Associate Professor of Chemistry
University of Florida
[email-masked]

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From: "William F. Polik" <[email-masked]>
Date: Mon, 23 Jul 2001 08:07:45 -0400

At 12:43 AM 7/23/01, Jan Labanowski <[email-masked]> wrote:
>...
>ftp://ftp.heise.de/pub/ct/cts/ctbppat.zip

There is a typo in the above URL.  The actual location of the patch is
      ftp://ftp.heise.de/pub/ct/ctsi/ctbppat.zip

FYI, the file ctbppat.zip contains ctbppat.exe, which patches DOS programs 
compiled with Borland Pascal 7 so that an integer overrun does not occur 
due to a bug in the CRT unit that does not accommodate CPU's faster than 
200MHz.

Will Polik
[email-masked]