Dear Amber Users,
For I'm running alanine dipeptide in vacuum using Langevin Dynamics, it
always goes out of the virtual box. I'm wondering if there is a way to set
the size of the virtual box to be much larger. And by the way, whether there
is a way for amber to analyze the trajectory to get the center of mass
trajectory? Thank you in advance!
Best Wishes,
Li
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Received on Mon Jun 20 2005 - 14:53:01 PDT
