Re: [AMBER] GB and Dielectric constant

From: kanika sharma <ksharma997.gmail.com>
Date: Mon, 9 Apr 2012 18:21:55 +0530

Going through amber archives I found that using Dielectric of 4 and a
distance-dependent dielectric with igb = 0, the simulation is carried out
in vacuo.

On Mon, Apr 9, 2012 at 6:11 PM, David A Case <case.biomaps.rutgers.edu>wrote:

> On Mon, Apr 09, 2012, kanika sharma wrote:
> >
> > So to run my simulation i used igb = 0 and ntb = 0 (non periodic). Does
> > this mean that my simulation is in vacuum?
>
> You need to define what you mean by "vacuum". If you ask for a dielectric
> of
> 4 and a distance-dependent dielectric, then I would consider this to be a
> (rather bad) implicit solvent model, not a vacuum model.
>
> ...dac
>
>
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Received on Mon Apr 09 2012 - 06:00:06 PDT
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