AMBER: MM/PBSA

From: Wei Chen <gtg553p.mail.gatech.edu>
Date: Fri, 07 Jul 2006 17:20:47 -0400

Hi, Everyone,

I am using MM/PBSA to calculate free energies. In the PB section, do I need set
RADIOPT = 0 when I set PRBRAD = 1.4, but RADIOPT = 1 when PRBRAD = 1.6?

Does PB energy depends on temperature? How about GB? If PB or GB energy depends
on temperature, how to change the temperature in MM/PBSA and Delphi?

Thanks,

Wei Chen

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Received on Sun Jul 09 2006 - 06:07:23 PDT