Re: [AMBER] Thermostat

From: Daniel Sindhikara <sindhikara.gmail.com>
Date: Thu, 17 Mar 2011 16:27:17 +0900

Agree mostly with Jason. But I wonder if you could just scale the masses? It
wouldn't be fun but
it would be easier than recoding.
-Dan

On Thu, Mar 17, 2011 at 4:05 PM, Jason Swails <jason.swails.gmail.com>wrote:

> Based on my understanding of the code, this is impossible, and would
> require some significant recoding of the thermostats to get it to work.
>
> What would you be trying to accomplish with this? What are you trying to
> learn?
>
> Hope this helps,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
>
> On Mar 16, 2011, at 7:50 PM, Diego Javier Alonso de Armiņo <
> diegoarmino.gmail.com> wrote:
>
> > Dear everyone,
> >
> > Does anyone know if its possible to equilibrate a part of a system
> coupled
> > to a bath with one temperature and another part to a bath with a
> different
> > one using amber?
> > I looked into the manual and didn't find anything.
> >
> > Thank you very much in advance.
> >
> > Diego
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-- 
Dr. Daniel J. Sindhikara
Institute for Molecular Science
E-mail: sindhikara.gmail.com
Website: http://sites.google.com/site/dansindhikara/
--
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Received on Thu Mar 17 2011 - 00:30:02 PDT
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