AMBER: GBSA or PBSA: GPB or GGB are +ve or -ve?

From: Catein Catherine <>
Date: Tue, 18 Sep 2007 15:46:06 +0800

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
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Received on Wed Sep 19 2007 - 06:07:32 PDT
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