Parameters: additive, lone pair

From: William Wei <>
Date: Mon, 10 Mar 2003 09:57:35 -0500

Hi all:

In leap parameter loading files, what does additive mean? And in what
situation I should use additive and lone pairs? Could someone give me a
general idea or point me to find a literature to read? Thanks.

If I just delete the lone pairs in the pdb file, does it make difference?
Thank you for your attention.



William Wei
Faculty of Pharmacy
19 Russell Street
Toronto, ON. M5S 2S2
Tel: 1-416-946-8469
Fax: 1-416-978-8511
Received on Mon Mar 10 2003 - 15:53:02 PST
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