On Wed, May 18, 2011, Massimiliano Porrini wrote:
>
> Does Amber by default couple the Langevin bath to hydrogen atoms?
If ntt=3 (not its default value), the Langevin forces are applied to all
atoms. Amber has no facility to apply such random forces only to some of the
atoms.
....dac
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Received on Wed May 18 2011 - 06:00:05 PDT
