Subject: CCL:M:mopac7/cosmo

From: Violon Daniel <[email-masked]>
Date: Tue, 01 Dec 1998 18:11:31 +0100

>From Daniel VIOLON
     Belgium    
     [email-masked]

Subject: COSMO in MOPAC7 (DOS)

Hello!
I would like to use COSMO on molecules containing approximatively 65
atoms ("heavy" and "light" together). Apparently, the COSMO routine
(available in the free downloadable MOPAC7 for DOS) does not work for
molecules containing more than 50 atoms (producing an error message and
returning to the C prompt), although AM1 and MNDO work normally for my
larger molecules, without the COSMO keywords. This COSMO properly
handles smaller molecules (Klamt's glycine testrun is OK). Am I missing
something important?
Is there any place where a MOPAC7 version could be found with a COSMO
module able to work with the required number of atoms (approximatively
maximum 65) for DOS or even WIN95, without having to recompile the code,
not being a native programmer?
Thank you very much for helping!

Daniel
[email-masked]

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