Re: [AMBER] parameters in mm/pbsa calculations

From: Qinghua Liao <fantasticqhl.gmail.com>
Date: Wed, 23 Nov 2011 14:57:20 +0100

Dear Bill,

Thanks very much for your explanations. Right now I got it. Thanks again.


On Wed, Nov 23, 2011 at 2:13 PM, Bill Miller III <brmilleriii.gmail.com>wrote:

> 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Best Regards,
Qinghua
Ph.D. student
Juelich Research Center
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Received on Wed Nov 23 2011 - 06:00:03 PST
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