AMBER Archive (2007)

Subject: AMBER: Question about translational and rotational degree of freedom in MM-PBSA v9 computations

From: Cenk Andac (cenk_andac_at_yahoo.com)
Date: Sun Mar 04 2007 - 06:06:22 CST

Dear AMBER community,

In MM-PBSA v8 computations, I used to add 6 translational and rotational degrees of freedom (6*1/2RT=1.79 kcal/mol) to PBTOT value to compute enthalpy of a system. I was wondering if the same rule applies to MM-PBSA v9 computations ?

Best regards,

Jenk Andac

 
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