Dear Amber developers and users,
It is my impression that the "vanilla" Nose-Hoover thermostat is not
available in Amber. If that is correct, is there any intention of
implementing it? Its availability would greatly benefit membrane permeation
studies, as Langevin temperature control dampens dynamics and the Berendsen
weak-coupling thermostat tends to distribute the temperature unevenly.
Thanks,
Sally
Sally Pias
Associate Professor of Chemistry
New Mexico Tech
sallypias.gmail.com
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Received on Thu Jan 16 2020 - 14:30:02 PST
