AMBER: minimizing structures before MM-PBSA?

From: scopio <scopio.163.com>
Date: Wed, 23 Feb 2005 09:23:37 +0800

Dear Amber Users:

When I do mm-pbsa calculations, I find some generated snapshots are not
very clean and sometimes have bad contacts. I'm wondering if it's
necessary to minimize all the complex structures before generating
snapshots for mm-pbsa calculations?

Best!

Liu 

-- 
JunJun Liu
College of Chemistry
Central China Normal University
WuHan   430079
P.R. China
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Received on Wed Feb 23 2005 - 01:53:00 PST
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