Re: [AMBER] GB and Dielectric constant

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 9 Apr 2012 08:41:24 -0400

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


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Apr 09 2012 - 06:00:05 PDT
Custom Search