how to keep the atom's trajectory within the box
王胜杰
theancientg... at gmail.com
Fri Mar 18 16:41:40 UTC 2016
Dear all
When I was dealing with the trajectory of MD, I found the atoms always move
beyond the boundary, making some atoms' coordinate larger than the box
length,which reflect the true trajectories.
But I don't want a true trajectory, I want a periodic boundary.When the
atoms cross the boundary, the coordinate will minus the box length
automatically, which each direction of atoms' coordinate is less than the
box length. By adding what command line can I fix that?
Thanks in advance.
Shengjie Wang
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