Re: AMBER: questions about run MD at different pH

From: Taufik Al-Sarraj <taufik.alsarraj.utoronto.ca>
Date: Tue, 15 Apr 2008 15:06:39 -0500

yes actually that i what i meant. and now i realize the comment is not
related to AMBER. nonetheless can AMBER9 calculate pH?

David A. Case wrote:
> 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
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu


-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu

Received on Fri Apr 18 2008 - 21:19:37 PDT
Custom Search