truncated octahedron boundary conditions

From: Mike Bradley (
Date: Wed Jul 21 2004 - 16:26:09 CDT

I have found this question in the NAMD-L archives but so far nobody has
answered yet: Does NAMD support truncated octahedron (or other
non-cube-like) geometries for periodic boundary conditions? In other
words, assuming one can generate a solvent box with a truncated
octahedron geometry (such as with Leap in Amber), how are the dimensions
of the the periodic boundary polygon declared in the <in>.namd file?

Mike Bradley

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