Dear Sir/Madam,
I lookup the literature for PBSA and GBSA calculations, I noted that most of the examples show the sign of GGB or GPB (the polar contribution DGsolvation) are +ve. As a result, it can easily found the non-polar or van der waals interactions becomes dominant.
Could you please kindly correct me if I am wrong that GGB or GPB must be positive values in these type of calculation?
Best regards
Cat
_________________________________________________________________
Explore the seven wonders of the world
http://search.msn.com/results.aspx?q=7+wonders+world&mkt=en-US&form=QBRE
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Sep 19 2007 - 06:07:32 PDT
