AMBER Archive (2009)
Subject: Re: [AMBER] Polarizable simulation of the slab
From: case (case_at_biomaps.rutgers.edu)
Date: Fri Nov 27 2009 - 08:24:41 CST
On Thu, Nov 26, 2009, Jan Heyda wrote:
> I'm dealing with slab calculation - so NVT calculation, in which the
> polarizable force field has to be used. The system consists of about
> 1000 water molecules and few ions. The system size should therefore be
> something like 32A x 32A x 150A.
Can you define what you mean by "slab"? How is it different that "bulk"?
Do you in fact have a uniform density of atoms in the system?
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