[gmx-users] the complex jump out of box

tsikosek t.sikosek at utoronto.ca
Mon Jan 20 14:00:27 CET 2014


Hi,
there is no "out of the box" when using periodic boundary conditions (PBC).
Try using the "-pbc" option of trjconv.
See: 
http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions

Best,
Tobias

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