softmaterialslab / nanoconfinement-md

This code allows users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.
Apache License 2.0
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Failing to put ions in confinement #136

Open kadupitiya opened 4 years ago

kadupitiya commented 4 years ago

Simulation is stuck at the preprocessing stage. What works: Positive ion valency: +1, +2 Salt concentration:0.3-0.5 Confinement length:3.0-4.0 Positive/Negative Ion diameter:0.5-0.75 Many combinations outside above combinations does work Example : Positive ion valency: +2 Salt concentration:0.6 Confinement length:3.0 Positive/Negative Ion diameter:0.75