- Original Message -
From: David van der Spoel
Date: Friday, June 4, 2010 10:06 am
Subject: Re: [gmx-users] Adding ideal gases to a simulation
> On 2010-06-04 15.35, Micholas Smith wrote:
> > Greetings Gromacs Gurus,
> >
> > I am running a set of simulations, and I
On 2010-06-04 15.35, Micholas Smith wrote:
Greetings Gromacs Gurus,
I am running a set of simulations, and I want to add Neon and Xenon to my system. I am
running OPLS-AA and have found in the ffoplsaa.atp file that parameters for both Neon and
Xenon exist. My question boils down to, can I tak
Greetings Gromacs Gurus,
I am running a set of simulations, and I want to add Neon and Xenon to my
system. I am running OPLS-AA and have found in the ffoplsaa.atp file that
parameters for both Neon and Xenon exist. My question boils down to, can I take
the information from the ffoplsaa.atp, ffo
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