[gmx-users] octahedral box

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Wed Jun 22 11:36:27 CEST 2005

Dear All,

I used the octahedral box for simulations. In the data analysis I have to
calculate the distance between an atom of solute and atoms of water. Does
anyone know a reference (or code) to deal with the minimum image
convention for this kind of box?

Thanks in advance,


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