Re: [AMBER] mmpbsa problems with amber 11

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 3 May 2011 19:46:30 +0200

On Mon, May 2, 2011 at 5:27 PM, David A. Case <case.biomaps.rutgers.edu>wrote:

> > On Mon, May 2, 2011 at 9:48 AM, Guenegou, Guillaume [ORDFR] <
> > > I am trying to switch mmpbsa calculations on amber 11 and I got this
> > > message:
> > >
> > > "No skew or curtosis when zero variance in moment"
>
> This usually means that there was an attempt to analyze a distribution that
> had zero values in it. You need to check to see what might have gone wrong
> with the mmpbsa calculation.
>

It could also have 1 value, or the same snapshot measured multiple times
(and none others). Of course 1 snapshot is a test-only type of case.

All the best,
Jason


> ...dac
>
>
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-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue May 03 2011 - 11:00:04 PDT
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