AMBER Archive (2007)

Subject: AMBER: Question about MMPBSA v9

From: Cenk Andac (cenk_andac_at_yahoo.com)
Date: Mon Apr 09 2007 - 05:54:39 CDT

Dear Amber community,

I was wondering if it is really necessary to include H-trans/trot due to 6*translational/rotational degrees of freedom (1.79 kcal/mol at 300 K) in PBTOT values in MM-PBSA v9 computations?

best regards,

jenk

 
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