[gmx-users] periodic boundary condition

Cherry Y. Yates yappik4050 at yahoo.com
Fri Sep 15 02:22:12 CEST 2006

Dear gromacs developers and users,

I am calculating a nanotube which has periodic boundary condition along one direction. I wonder how to make an itp file for this system. The difficulty lies in describing the bond between two end atoms, e.g., two atoms are bonded in an infinite length system, but are located on the bottom and top of a unit cell. 



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