[gmx-users] Poisson equation, Hydrodynamic interaction
nedomacho at gmail.com
Sat Mar 24 21:38:50 CET 2018
I don't think question 1 has an answer in the documentation, or any
documentation ever written anywhere.
Representing metallic systems in MD does not mean "Poisson equation
should be solved at the surface," because Poisson is to be solved
self-consistently throughout any system always. If the question was
about Gromacs being able to reveal Fermi gas polarization near surfaces
by creating images, then the answer is no. There are papers on the
On 3/24/2018 2:02 PM, Mark Abraham wrote:
> This is a great question to answer by looking in the documentation, which
> you'll need to do anyway if the answer is yes ;-)
> On Sat, Mar 24, 2018, 20:30 Amin Rouy <aminrou1986 at gmail.com> wrote:
>> I have 2 questions please?
>> 1- Is Gromacs able to simulate metallic system (Poisson equation should be
>> solved at the surface)
>> 2- is Gromacs able to calculate hydrodynamic interactions?
>> On Fri, Mar 23, 2018 at 1:04 PM, Amin Rouy <aminrou1986 at gmail.com> wrote:
>>> I have 2 questions please?
>>> 1- Does Gromacs ability to solve Poisson equation, e.g. boundary
>>> on metal surface?
>>> 2- is Gromacs able to calculate hydrodynamic interactions?
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