Re: [AMBER] Fwd: V limit

From: David A Case <>
Date: Thu, 29 Mar 2012 16:20:05 -0400

On Thu, Mar 29, 2012, Jason Swails wrote:

> I would say that it often indicates something is slightly amiss and
> should be fixed, but I've definitely seen it happen.

I agree with Jason: we've seen vlimit errors many dozen's of nanoseconds
into otherwise perfectly stable simulations. I agree that if something
is going to blow up, vlimit won't stop it. But it can be useful for
the close-contact that arises from a bad integration step once every
100 million steps.


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Received on Thu Mar 29 2012 - 13:30:03 PDT
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