AMBER: About Temperature Regulation

From: L Jin <s0344557.sms.ed.ac.uk>
Date: Wed, 10 Dec 2003 15:09:00 +0000

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

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Received on Wed Jan 14 2004 - 15:53:06 PST
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