AMBER Archive (2005)

Subject: AMBER: Temperature varible in MMPBSA script

From: JunJun Liu (ljjlp03_at_gmail.com)
Date: Fri Jul 01 2005 - 08:59:05 CDT


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 ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu