AMBER Archive (2005)

Subject: Re: AMBER: No skew or curtosis when zero variance in moment

From: David A. Case (case_at_scripps.edu)
Date: Thu Dec 22 2005 - 12:14:25 CST

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu