this is probably because most biology of relevance occurs at constant
P rather than V. the goal of a simulation is usually to help
understand a experiment (thus should be done under comparable
conditions), or to predict behavior about the true system (usually at
constant P). there are some times when constant V is needed, such as
during annealing, or comparing to some experiments.
On Tue, Feb 17, 2009 at 10:23 PM, Chih-Ying Lin <chihying.usc.edu> wrote:
>
>
> HI
> I checked some SCI papers and it seems to more system simulated under NPT than NVT.
>
> What is the most reasons for more use of NPT than NVT system?
>
> Thanks
> Lin
>
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Received on Fri Feb 20 2009 - 01:07:52 PST
