amsol

[James P. Schmidt <jims %! at !% duce.medicine.rochester.edu>]

 In response to Mark J.Forster's inquiry anout amsol:
    I have cut Crahmer and Truhlar's solvation code into the Unix version
 of MOPAC 6.0 which we are running on SGI platforms.  This code is available
 by anonymous ftp at crocus.medicine.rochester.edu and can be found in the
 directory jones as MOSOL.tar.z.
    No guarantees are made about the performance of this code.  I have observed
 it to give answers agreeable with the test jobs provided with the QCPE version
 of AMSOL and have been using for about month.  The tests and instructions are
 not currently included in tar, nor are the modifications fully commented.
 The tests and instructions can be obtained from the QCPE distribution of
 AMSOL with the modification that the DERINU keyword is not to be specified
 since MOPAC does derivitives numerically by default.
     If anyone takes this code and uses it, I would appreciate feedback on any
 problems that you encounter for my own edification.
     Since this is not my original code, and I am aware that others are working
 on the incorporation of the code into Mopac, this code may at some future
 point be made unavailable if the original authors release an official version.
     Again I point out, no guarantees or representations as to the performance
 or quality of this code are made by me or any others at this site.  The code
 appears to run fine but has not been through rigorous testing with CI or
 reaction coordinates, etc.
 PS- I have been informed while writing this posting that there is a yet un-
 released program which may be named mosol and has nothing to do with Mopac
 or SM1/SM1a, if this is the case the name of the tar on crocus may be
 changed to avoid confusion with this program.
 Jim Schmidt
 University of Rochester
 jims %! at !% duce.rochester.edu