[AMBER] Default temperature regulation during production run: Missed to declare ntt option

From: Jorden Cabal <jordencabal.gmail.com>
Date: Tue, 14 Jul 2020 20:26:02 +0900

Unfortunately and by mistake, I forgot to use temperature regulating
parameters during starting simulations. Heating and equilibration are fine.
I have checked the out file where parameters are detailed and see no line
describing temperature, but when I see the RMS fluctuation in temperature,
it is maintained almost constant. I was wondering what value of ntt is
taken by default. I am running a simulation under the PBC condition applied.
for reference please see the input parameters

MD run
Please suggest me on this.

Thank you
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Received on Tue Jul 14 2020 - 04:30:04 PDT
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