Re: [AMBER] Fwd: V limit

From: David A Case <>
Date: Thu, 29 Mar 2012 12:18:59 -0400

On Mon, Mar 26, 2012, RAMON wrote:
> >>
> >> In some steps of dynamics de mdout says vlimit = 20 and in others
> >> vlimit = -1. What's the meaning of "-1" ?

It would have helped if you had said what programs you were running. For the
cuda version of pmemd, the default value for vlimit is -1, which is
interpreted to mean that vlimit is not supported on GPU's. You should not be
getting a -1 if you run on a CPU version.

(Aside to Scott and Ross: allowing vlimit checks on GPUs would be a real


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Received on Thu Mar 29 2012 - 09:30:03 PDT
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