Re: AMBER: ibelly not working

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Tue, 12 Apr 2005 11:11:28 -0700 (PDT)

> It appears that the frozen atoms that ibelly was being applied
> to are not ending up frozen by the end of my simulation.

Are you running w/ constant pressure? If so, try saving md
and watching the trajectory of the solute to see how the
belly shifts.

Bill
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Received on Tue Apr 12 2005 - 19:53:00 PDT
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