Dear Amber users£¬
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.
Is there anyway to solve this it?
¡¡¡¡¡¡¡¡¡¡
Best regards,
Ye Mei
ymei.itcc.nju.edu.cn
Institute of Theoretical and Computational Chemistry
Key Laboratory of Mesoscopic Chemistry
School of Chemistry and Chemical Engineering
Nanjing University
Nanjing 210093
P.R.China
2005-12-21
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Dec 21 2005 - 16:53:00 PST