[gmx-users] many charges within one atom

Rolf Erwin Isele-Holder Rolf.Isele at rwth-aachen.de
Tue Aug 11 12:14:12 CEST 2009

Hi everybody,

I'm trying to run simulations with a charge distribution within one single atom. Is there a way to create a molecule, in which every atom has a charge distribution - more charge points at one atom.

Is it possible to run a simulation in a polarizable electric continuum in stead of simulating the molecules of  the solvent?

Regards, Rolf

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