AMBER Archive (2006)


From: Wei Chen (
Date: Fri Jul 07 2006 - 16:20:47 CDT

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?


Wei Chen


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