[gmx-users] core and shell

sangyongliang99 at mails.tsinghua.edu.cn sangyongliang99 at mails.tsinghua.edu.cn
Mon Dec 5 04:59:11 CET 2005

hi, david:
Very sorry to bother you. I am simulate a type of ion crystal (BaTiO3) using shell
model.Each ion is treated as a charged core and shell, and the core and shell
interact with each other through an spring but without coulombic interaction. How
can I got rid of the coulomb from the core and shell?
Thank you very much!

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