[AMBER] the dielectric constant for mixed solvent in mmpbsa

From: Fengxue Li <lifx916.126.com>
Date: Wed, 20 Nov 2013 08:39:48 +0800 (CST)

 When I

 used the MM-PBSA method as implemented in AMBER 12 to calculate the binding free energy,I

created a solvent box around the solute UNIT.The box contained two solvents£¬such as solvent A and solvent B.The dielectric constant for the solvent A is 33,The dielectric constant for the solvent B is 3,and their volume ratio is 1:1,I want to know how to determine the dielectric constant for the mixed solvent ?
 Thank you for advance!

AMBER mailing list
Received on Tue Nov 19 2013 - 17:00:02 PST
Custom Search