Re: [AMBER] vlimit exceeded for step

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Wed, 30 Jun 2010 16:48:38 -0700

> I checked my input file for MD, I always used the iwrap=1 to control I/O.

It might be interesting to try running a few (10? 100? 1000?) steps
with iwrap=0 and then restarting with iwrap=1 again to see if it
gets you out of this problem.


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Received on Wed Jun 30 2010 - 17:00:05 PDT
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