AMBER Archive (2005)

Subject: Re: AMBER: &dipoles in sander

From: Cenk Andac (cenk_andac_at_yahoo.com)
Date: Fri Jan 28 2005 - 13:25:36 CST

I will then evaluate here inducible dipole results
which I recently calculated for a temperature
(constant volume) and pressure equilibrated system.

thanks for the info.

jenk.

 
--- "David A. Case" <case_at_scripps.edu> wrote:

> On Fri, Jan 28, 2005, Ross Walker wrote:
> >
> > I haven't tried running inducible
> > dipole simulations with implicit solvent so I
> don't know how well they work.
> > Perhaps a GB expert on the list can comment more
> on this.
>
> This is not possible with the current Amber codes:
> none of the GB models
> include inducible dipoles.
>
> ...dac
>

                
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