Date: Tue Aug 23 2011 - 22:30:29 CDT
Thanks for your reply. But the system of 2 ions in vacuum only have the Columb energy, so if the cutoff is larger than the distance of 2 ions, the energy should be equal to the Coulumb energy 41.5kcal/mol at 8 angstrom distance, Yes?
The system is easy to set up, so you can spend several minutes to have a try, just to see the elec energy in the log file.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:39 CST