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jkl

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This directory contains the source code and manuals for MOPAC version 6. This code
has been modified to emulate AMSOL calculations and can perform solvation calculations
as described in Cramer and Truhlar, 1991, JACS, 8305. It has been further modified to
perform NBO analysis. NBO is run by default and will be printed if the last card
reads
$NBO $END

Keywords can be placed between the $NBO $END cards as for NBO in G90 calculations.

This software can be freely distributed.

The file is a compressed tar file.              

You can try 

cat mobosol.tar.Z |uncompress| tar -xvof -

This should give you files and manuals.

We compile by brute force with no makefile.

This might work,

f77 -static -O2 -o mobosol *.f 

The majority of the work in this port was performed by Jim Schmidt,
 U. of R. Dept. of Chemistry, Pharmacology.

Enjoy, Jeffrey P. Jones
       Assistant Professor of Pharmacology
       University of Rochester

THE ENVAQ PROBLEM HAS BEEN FIXED IN THIS VERSION!!

If you only want the fix get readmo.f only and recompile.

jpj 8/5/92
Modified: Fri Aug 19 16:00:00 1994 GMT
Page accessed 5720 times since Sat Apr 17 21:34:43 1999 GMT