AMBER Archive (2007)

Subject: Re: AMBER: pH effect on protein folding

From: tri nam Vo (mouseelephant2002_at_yahoo.com)
Date: Sat Apr 07 2007 - 01:27:40 CDT

Hi Bimo,
  My name is Nam, I'm from university in Viet Nam.
  I've read your thread "pH effect on protein folding". I use Amber7 and I want to make MD with constan pH. I've calculate charges of titration residues by TITRA program. But I don't know how to add this pKa values to MD. Can you tell me how can I do that?.
  Thanks.

 
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