AMBER Archive (2007)

Subject: AMBER: MD at constan pH

From: tri nam Vo (mouseelephant2002_at_yahoo.com)
Date: Fri Apr 06 2007 - 09:10:18 CDT

Hi,
I'm studying in university in VietNam.
I'm using Amber7.
I want to use sander to make an MD at constan pH ( pH = 4 ->8) . I've calculated the charge on titration residua by TITRA program. But I don't know how to add this charge to MD. Can you tell me how can i do that? Thanks.

 
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