AMBER Archive (2003)

Subject: AMBER: About Temperature Regulation

From: L Jin (s0344557_at_sms.ed.ac.uk)
Date: Wed Dec 10 2003 - 09:09:00 CST

Dear all users,

I am a new user of AMBER. I am doing some testing or learning about AMBER. I
have a problem about choosing the option for temperature regulation when running
dynamics. If I use TAUTP=0.5, there will be a significant fluctuation of the
energies, while TAUTP=5.0, the result will be better. I do not know how this
option operate the temperature during dynamics. Therefore I do not know how to
define it. Please give me some information about this. Thank you very much.

Looking forward to reply.
Lan

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