From owner-chemistry@ccl.net Mon Apr 17 20:10:00 2006
From: "jz7:+:duke.edu" <owner-chemistry..server.ccl.net>
To: CCL
Subject: CCL: Questions about using program SOMFA
Message-Id: <-31535-060417181542-26695-l/GvznfEo2jKzjpeqd4OjQ..server.ccl.net>
X-Original-From: jz7*duke.edu
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Date: Mon, 17 Apr 2006 18:15:09 -0400 (EDT)
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Sent to CCL by: jz7]*[duke.edu
Dear all,

Does anyone have experience with using SOMFA? I am trying to run the
steriod example downloaded with the program. However I got some mysterious
problems.

When I have set up the project and try to use the project by following the
manual. I cannot proceed step 7 in the "Using a SOMFA project" part.

(I selected the training set for the new model and ShapeMolecularField
Class, entered grid information, and selected training property. But when
I entered the grid file name and press "OK", the program does not respond)

There is no grid file written, and no error message. It seems that the
program doesn't run any calculation.

I use WindowsXP, and I have tried to replace MoleculeInterface.dll with
MoleculeInterface_95.dll. But the program still won't work. I have tried
several times, and I believe I followed the manual exactly.

Have anyone reported such bug before? How should I fix it?

Really appreciate your kind help!