On Mon, Nov 3, 2014 at 8:56 AM, Sangita Kachhap <sangita.imtech.res.in>
wrote:
>
>
> Thanks Jason for reply
>
> I am not asking for any unpublished article I am asking for if there is
> any already published (clearly mentioned in my mail) article that will
> help to chose me ensemble NVT or NPT for production run.
>
​Ah, I somehow saw a phantom "un" in front of the "published" (you clearly
said "published").
But the rest of my response still applies: No single ensemble is
appropriate for the production stage in all studies. That's why so many
options exist. The articles that you should look for are those that carry
out simulations similar to what you are trying (similar methods, simulation
goals, and/or systems), and look at what they do. In my opinion, you
should be doing this anyway. The articles that will help you the most are
the articles you should probably already encounter with when you are
familiarizing yourself with the part of the field you are conducting
research in.
An hour in the library can save a day in the lab, or so they say
​.​
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Nov 03 2014 - 06:30:04 PST
