Re: AMBER: MD at constan pH

From: Scott Brozell <>
Date: Fri, 6 Apr 2007 09:41:39 -0700


On Fri, 6 Apr 2007, tri nam Vo wrote:

> 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.

Constant pH simulations were added to sander in Amber8.
The current release version is Amber9.
Read section 6.11 of the Amber9 manual and upgrade.


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Received on Sun Apr 08 2007 - 06:07:37 PDT
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