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AMBER Archive (2009)Subject: Re: [AMBER] How to setup the pH value?
From: David A. Case (case_at_biomaps.rutgers.edu)
On Sat, May 16, 2009, Chih-Ying Lin wrote:
> How to setup the pH value?
This depends *a lot* on what sort of behavior you are interested in.
You could assign side chains their most likely protonation states at pH5, and
Amber has a "constant pH" option, in which you just enter the pH as an input
....hope this helps....dac
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