AMBER Archive (2005)

Subject: AMBER: Temperature varible in MMPBSA script

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Dear AMBER users:

The default temperature in nmode calculation is 298.15K, while the
temperature varible in MM-PBSA script, which is used to calculate "TS", is
300K. Could anyone of you please tell me why not set the temperatrue
varible in MM-PBSA script to 298.15K as default? Thanks in advance!

Best Regards!

Liu

-- 
JunJun Liu
College of Chemistry
Central China Normal University
WuHan   430079
P.R. China
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• Previous message: Anthony Cruz: "AMBER: Replica exchange"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]