VMD-L Mailing List
From: Lubos Vrbka (shnek_at_tiscali.cz)
Date: Tue Dec 07 2004 - 02:23:05 CST
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hi everybody,
thanks a lot for your help with the distribution analysis "script". it
works perfectly. however, i still have one question. if i use selection
... within 6 of protein
in a trajectory frame with periodic boundary conditions, are PBC
correctly applied, i.e. are all particles in larger distance than 1/2 of
the corresponding axis "translated" to their imaged positions in the
unit cell? my trajectory is imaged with protein shifted to the center of
the unit cell, but i would also like to do distribution analysis around
other solutes that are not centered in the cell...
thanks in advance,
lubos
-- Lubos _@_"
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