Dear Amber User,
I'm trying to simulate a molecule in vacuum using amber for comparison. But
it always goes beyond the virtual box. For some reason, I don't want to rm
the translational and rotational motion of center-of-mass too often.
In that case, what can I do then? PS: Is there a way for me to set the size
of the virtual box?
Best,
Li Su
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Received on Tue Aug 23 2005 - 18:53:00 PDT
