AMBER: constant pH

From: Eddie Men <>
Date: Tue, 02 Oct 2007 03:45:34 -0600

Greetings Amberites!_

I am trying to set my cpin file, for constant pH molecular dynamics
simulations. Unfortunely I have no idea from the manual as how to set
the initial cpin values to a given initial pH. Can I just take the
defaults and simulate to a constant pH by using the solvph flag?.
Can anyone send me a link with examples of how to use the
util?. I got a place a couple of days but can not find it anymore :(

Help would be appreciated.

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Received on Wed Oct 03 2007 - 06:07:32 PDT
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