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
