Subject: Continum model simulation

From: "Emadeddin Tajkhorshid" <[email-masked]>
Date: Mon, 1 Jul 1996 12:25:12 -0600

Hi all

I want to compare the results of vaccum calculation with that of continum
solvent model of water using G94. I found different methods in using Dipole,
PCM, IPCM and SCIPCM. Actually I was able to work with Dipole ( Onsager)
method, but I found problems using other methods. Perhaps I do not include
complete information required by the program. Could you please point me to some
examples with this regard. Any other comments are greatly appreciated.

Thanks in advance

emad

-- 
E. Tajkhorshid				
German Cancer Research Center; DKFZ	Tel: +49 6221 42 2339
Dept. Molecular Biophysics (0810)	FAX: +49 6221 42 2333
P.O.Box 101949				Email: [email-masked]
69009 Heidelberg, FRG
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