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 - 15:59:27 CDT

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

> nonetheless can AMBER9 calculate pH?

The pH is an *input* parameter to constant pH simulations. Otherwise, Amber9
doesn't "calculate" pH.

...dac

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