Re: AMBER: MD without a thermostat

From: David A. Case <>
Date: Thu, 1 Dec 2005 11:42:51 -0800

On Thu, Dec 01, 2005, Vlad Cojocaru wrote:

> I am trying to setup a simulation without a thermostat after a
> equilibration step using Langevin dynamics. Before doing so, I would
> like to ask you whether the temperature will be still printed out in the
> output even if ntt is not set...

It's a little hard to understand why you can't just run a 10 step simulation
and see what happens. Or, look at the sample outputs in the test or benchmark


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Received on Thu Dec 01 2005 - 19:53:00 PST
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