Hi Sangita,
At the moment the Nose-Hoover thermostat is only available for path-
integral molecular dynamics simulations.
All the best,
Francesco
----------------------------------------------------------------------
Francesco Paesani, Ph.D.
Assistant Professor
Department of Chemistry & Biochemistry
University of California, San Diego
Urey Hall 3242
9500 Gilman Drive #0314
La Jolla, CA 92093-0314
phone: (858) 822 - 3383
email: fpaesani.ucsd.edu
web: http://paesanigroup.ucsd.edu
----------------------------------------------------------------------
On Oct 25, 2010, at 5:32 AM, case wrote:
> On Sun, Oct 24, 2010, Sangita Kachhap wrote:
>>
>> Is Nose Hoover (ntt=4)thermostat is implemented in amber11 and can
>> I use
>> it for MD simulation.
>
> As far as I know, this has only been tested for path integral MD.
> I'm cc-ing
> this to Francesco Paesani to see if he has comments.
>
> ...regards...dac
>
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Received on Tue Oct 26 2010 - 07:30:04 PDT
