Subject: Re: CCL:mopac7, eps

From: "Victor Anisimov" <[email-masked]>
Date: Tue, 28 Sep 1999 09:28:30 +0200

Dear Nuran,

COSMO does not require any special keywords more than EPS and NSPA to be
initiated. But as far as I can judge MOPAC7 can not perform COSMO calculations
for excited states. It is implemented only in MOPAC2000.

Sincerely,
Victor.

=========================================================================
Victor Anisimov, PhD, Software Researcher - Computational Chemistry
FQS Poland, Palac Pugetow, ul. Starowislna 13-15, 31-038 Krakow, Poland
Email: [email-masked]  Tel.(+48 12) 429 4345  Fax(+48 12) 429 6124
=========================================================================

-----Original Message-----
From: Nuran Elmaci <[email-masked]>

:Dear CCL Members,
:
:I would like make some excited state calculations including solvent
:effects with MOPAC7, I have used EPS=n.nn and NSPA=n keywords, but the
:keywords are unrecognized. Is there any other keyword that I should use
:with them?   There is a description about COSMO in the Mopac manual but
:the necessary keywords are not located in the keyword list.  I would
:appreciate if someone can help me.
:
:thanks,
:
:Nuran Elmaci