AMBER Archive (2006)Subject: AMBER: MM/PBSA
From: Wei Chen (gtg553p_at_mail.gatech.edu)
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?
Thanks,
Wei Chen
--
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|