Is it normal for the temperature to oscillate substantially in the
soft core region. I got these outputs from the mdout file of a TI run
Softcore part of the system: 3 atoms, TEMP(K) = 660.04
And for the next output...
Softcore part of the system: 3 atoms, TEMP(K) = 43.50
I have set for the temperature of the system to be 298 K ntt = 3 and
gamma_ln = 1
The system temperature seems to be in order, it oscillates around 298 K.
Thank you
Fabrício
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Received on Tue Oct 16 2012 - 12:00:07 PDT
