Re: [AMBER] The Calculate Formula of Ionic strength in MM_PBSA/GBSA

From: David A Case <david.case.rutgers.edu>
Date: Mon, 9 Jul 2018 08:44:53 -0400

On Mon, Jul 09, 2018, 龚乾坤 wrote:
>
> Here,I have a question about MM_PBSA/GBSA.When I calculate the Ionic
> strength (parameter ISTRNG --
>
> Ionic strength (in mM) for the Poisson-Boltzmann solvent in MM_PBSA ),
> which formula should I use ?

Please consult the wikipedia article on "Ionic Strength" (or textbooks,
etc.) Math is kind of hard to represent in an email.

>
> And what is the formula's unit ?

mM, as you quote above.

....dac


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Received on Mon Jul 09 2018 - 06:00:12 PDT
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