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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Received on Wed Apr 11 2007 - 06:07:19 PDT
