Argyrios Karatrantos wrote:
hi,
is it possible to do one component plasma (OCP) simulations using gromacs?
in the one component plasma (OCP) charged particles immersed into a homogeneous
neutralizing backround.
so i would guess that the neutralizing backround is the difficult thing for gromacs
i would appreciate very much if you have any idea of how to do this in gromacs
thanks very much
What does that mean? Charged particles with screened Coulomb? The PME
algorithm will compensate for a net charge by a neutralizing background
charge. You may also want to check this ref (Phys Rev E *70* pp. 051904
(*2004*), http://folding.bmc.uu.se/david/oldpapers/bergh2004a.pdf) where
we used an inhomogenous electron plasma. This was done in GROMACS but in
a modified version.
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