Re: [AMBER] parameters in mm/pbsa calculations

From: Bill Miller III <brmilleriii.gmail.com>
Date: Wed, 23 Nov 2011 08:13:21 -0500

Yes, you can set saltcon/istrng however you want. These two variables do
not change the results drastically, but the difference will depend on the
method you choose. You can see the actual dependence on salt concentration
by looking up the generalized born and poisson-boltzmann equations.

-Bill

On Wed, Nov 23, 2011 at 8:08 AM, Qinghua Liao <fantasticqhl.gmail.com>wrote:

> Dear Bill,
>
> Thanks very much for your fast reply. Do you mean that I can choose them
> freely according my purposes? However what are the differences of the
> binding free energy between 0.0 and 0.1 for the two items, respectively?
> Thanks very much!
>
>
> Best Regards,
>
> Qinghua
> Ph.D. student
> Juelich Research Center
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Wed Nov 23 2011 - 05:30:05 PST
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