AMBER Archive (2008)

Subject: Re: AMBER: questions about run MD at different pH

From: David A. Case (case_at_scripps.edu)
Date: Tue Apr 15 2008 - 12:19:11 CDT

On Tue, Apr 15, 2008, Taufik Al-Sarraj wrote:

> I am curious about the last comment in this communication, how is pH
> calculated in AMBER9?

By the "last comment" do you mean this?

> >[** Note that if you had one H+ and one OH- ion, you would need about 50
> >million water molecules to construct a solution with pH=7.]

If so, this has nothing to do with Amber (version 9 or otherwise). But I
probably don't understand your question.

...dac

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