AMBER Archive (2005)

Subject: AMBER: minimizing structures before MM-PBSA?

From: scopio (scopio_at_163.com)
Date: Tue Feb 22 2005 - 19:23:37 CST

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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