[gmx-users] Determining the energy of an individual atom.
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Darrell Koskinen wrote:
Dear GROMACS Gurus,
In my simulation of a graphene structure surrounded by an
hydrogen atoms and could this be impairing the
adsorption on the edges?
Again, your thoughts and comments are much appreciated.
Darrell
Date: Wed, 12 Aug 2009 07:45:11 +0200
From: David van der Spoel
Subject: Re: [gmx-users] Determining the energy of an individual atom.
To: Discussion list for
Subject: Re: [gmx-users] Determining the energy of an individual atom.
To: Discussion list for GROMACS users
Message-ID: <4a823a10.6010...@anu.edu.au>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
Darrell Koskinen wrote:
Dear GROMACS Gurus,
In my simulation of a graphene str
Darrell Koskinen wrote:
Dear GROMACS Gurus,
In my simulation of a graphene structure surrounded by an ammonia gas, I
am not seeing any adsorption of the ammonia molecules onto the surface
of the graphene structure. I am wondering if the reason I am not seeing
any absorption is because the grap
Darrell Koskinen wrote:
Dear GROMACS Gurus,
In my simulation of a graphene structure surrounded by an ammonia gas, I
am not seeing any adsorption of the ammonia molecules onto the surface
of the graphene structure. I am wondering if the reason I am not seeing
any absorption is because the grap
Dear GROMACS Gurus,
In my simulation of a graphene structure surrounded by an ammonia gas, I
am not seeing any adsorption of the ammonia molecules onto the surface
of the graphene structure. I am wondering if the reason I am not seeing
any absorption is because the graphene lattice is vibrating
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