On Wed, Dec 21, 2005, Ye Mei wrote:
>
> I saw the error message "No skew or curtosis when zero variance in moment"
> when I calculate the entropy lost during ligand binding using MM/PBSA. I
> refered to the mailing list, but found no useful info. Unluckily I got a
> positive vibrational entropy change, which seems to be unreasonable.
When there is only a single point (not a distribution) then it makes no sense
to try to compute parameters about the distribution. This is what the message
is saying, and it is only for information purposes.
Of course, I can't say anything about your "unreasonable" results, since I
don't have any information about them.
....dac
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Received on Thu Dec 22 2005 - 18:53:00 PST
