[CP2K-user] [CP2K:18432] Classical molecular dynamics for isolated cluster with two positive charges

Junbo Lu lujunbo15 at gmail.com
Fri Feb 10 02:37:29 UTC 2023

Dear all experts,
  I am trying to use classical molecular dynamics to study an isolated 
cluster. This cluster has two positive charges. I use a large box and turn 
off the periodic condition in subsys/cell section. Is there anything else 
that I should pay attention to?
  With my best regards,

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