[gmx-users] non-neutral system
fpoosaneh at gmail.com
Mon Nov 6 11:51:04 CET 2017
I have a system containing similar charged atoms. So the total charge is
Simulation results with cut-off coulomb seems reasonable, but using PME
they are wrong (total columb potential is negative value which must be
positive). Any idea why?
If I use counter-ions to neutralize the system, I am afraid the properties
I am looking for (viscosity) will be influenced.
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