Hi,
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.
http://amber.scripps.edu/doc9/index.html
Scott
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Received on Sun Apr 08 2007 - 06:07:37 PDT
