Re: [AMBER] constant pH simulation ERROR "vlimit exceeded for step"

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 22 Jun 2010 13:44:34 -0700

> No other atoms are in close contact with HZ2

Can you affirm this is true in the steps right before the
simulation blows up?

I would watch the dynamics at this point, frame-by-frame.

Bill

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Received on Tue Jun 22 2010 - 14:00:17 PDT