|From:||Ray Shan <rshan@...1795...>|
|Date:||Tue, 22 Aug 2017 22:49:04 +0000|
Read the Rappe & Goddard paper and you will see their charge model (charge-charge interaction) is not a point charge model. Find the corresponding charge model.
Thank you for replying. I did run the simulation with 10 Angstrom and with 3 times the box length. Still the results are the same.