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Date: Tue, 4 Jun 2002 12:22:37 -0400 (EDT)
From: Jianquan Chen <jianquan -x- at -x- eden.rutgers.edu>
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To: chemistry |-at-| ccl.net
Subject: calculate charge using MOPAC
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Hi,
I need to add charge to thousands of molecules. MOPAC is free but slow and
sometimes  changes the moleucular structure. I don't know how MOPAC
works. I have 2 questions.
Can I run MOPAC without optimizing the molecular
structure?
Is there any way to accelate MOPAC? I don't need very accurate charges.

Thanks a lot for any response.
 

Jianquan Chen